1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate

C268H400N36O35 — CID 158628364

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate
SMILESCN(C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O)C(C)(C)C(N)=O.CNC(=O)C(C)(C)CC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.CNC(=O)C(C)(C)N(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.CNC(=O)CN(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.COC(=O)c1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)nc1.COC(=O)c1cccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.COCCOCCOCCOCCOCCOCCOCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.C[C@@H](CO)CC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.C[C@H](CO)CC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C39H65N3O9.2C31H40N4O4.C29H45N5O3.C29H44N4O3.C28H43N5O3.C27H41N5O3.2C27H41N3O3/c1-40(2)39(35-11-5-4-6-12-35)16-14-38(15-17-39)33-41(37(44)42(38)31-34-9-7-10-34)32-36(43)13-8-18-46-21-22-48-25-26-50-29-30-51-28-27-49-24-23-47-20-19-45-3;1-33(2)31(24-11-5-4-6-12-24)17-15-30(16-18-31)22-34(29(38)35(30)20-23-9-7-10-23)21-26(36)19-25-13-8-14-27(32-25)28(37)39-3;1-33(2)31(25-10-5-4-6-11-25)16-14-30(15-17-31)22-34(29(38)35(30)20-23-8-7-9-23)21-27(36)18-26-13-12-24(19-32-26)28(37)39-3;1-27(2,25(36)30-3)32(6)24(35)20-33-21-28(34(26(33)37)19-22-11-10-12-22)15-17-29(18-16-28,31(4)5)23-13-8-7-9-14-23;1-27(2,25(35)30-3)18-24(34)20-32-21-28(33(26(32)36)19-22-10-9-11-22)14-16-29(17-15-28,31(4)5)23-12-7-6-8-13-23;1-26(2,24(29)35)31(5)23(34)19-32-20-27(33(25(32)36)18-21-10-9-11-21)14-16-28(17-15-27,30(3)4)22-12-7-6-8-13-22;1-28-23(33)18-30(4)24(34)19-31-20-26(32(25(31)35)17-21-9-8-10-21)13-15-27(16-14-26,29(2)3)22-11-6-5-7-12-22;2*1-21(19-31)16-24(32)18-29-20-26(30(25(29)33)17-22-8-7-9-22)12-14-27(15-13-26,28(2)3)23-10-5-4-6-11-23/h4-6,11-12,34H,7-10,13-33H2,1-3H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;4-6,10-13,19,23H,7-9,14-18,20-22H2,1-3H3;7-9,13-14,22H,10-12,15-21H2,1-6H3,(H,30,36);6-8,12-13,22H,9-11,14-21H2,1-5H3,(H,30,35);6-8,12-13,21H,9-11,14-20H2,1-5H3,(H2,29,35);5-7,11-12,21H,8-10,13-20H2,1-4H3,(H,28,33);2*4-6,10-11,21-22,31H,7-9,12-20H2,1-3H3/t;;;;;;;2*21-,26?,27?/m.......10/s1
InChIKeyHYWNMDXHYOIPSN-IJKPLMPKSA-N
MW4686.37 g/mol
LogP33.54
Rot. Bonds97

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate (PubChem CID 158628364) has the molecular formula C268H400N36O35 and a molecular weight of 4686.37 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate
PubChem CID158628364
Molecular FormulaC268H400N36O35
Molecular Weight4686.37 g/mol
Exact Mass4683.06
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate
SMILESCN(C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O)C(C)(C)C(N)=O.CNC(=O)C(C)(C)CC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.CNC(=O)C(C)(C)N(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.CNC(=O)CN(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.COC(=O)c1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)nc1.COC(=O)c1cccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.COCCOCCOCCOCCOCCOCCOCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.C[C@@H](CO)CC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.C[C@H](CO)CC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C39H65N3O9.2C31H40N4O4.C29H45N5O3.C29H44N4O3.C28H43N5O3.C27H41N5O3.2C27H41N3O3/c1-40(2)39(35-11-5-4-6-12-35)16-14-38(15-17-39)33-41(37(44)42(38)31-34-9-7-10-34)32-36(43)13-8-18-46-21-22-48-25-26-50-29-30-51-28-27-49-24-23-47-20-19-45-3;1-33(2)31(24-11-5-4-6-12-24)17-15-30(16-18-31)22-34(29(38)35(30)20-23-9-7-10-23)21-26(36)19-25-13-8-14-27(32-25)28(37)39-3;1-33(2)31(25-10-5-4-6-11-25)16-14-30(15-17-31)22-34(29(38)35(30)20-23-8-7-9-23)21-27(36)18-26-13-12-24(19-32-26)28(37)39-3;1-27(2,25(36)30-3)32(6)24(35)20-33-21-28(34(26(33)37)19-22-11-10-12-22)15-17-29(18-16-28,31(4)5)23-13-8-7-9-14-23;1-27(2,25(35)30-3)18-24(34)20-32-21-28(33(26(32)36)19-22-10-9-11-22)14-16-29(17-15-28,31(4)5)23-12-7-6-8-13-23;1-26(2,24(29)35)31(5)23(34)19-32-20-27(33(25(32)36)18-21-10-9-11-21)14-16-28(17-15-27,30(3)4)22-12-7-6-8-13-22;1-28-23(33)18-30(4)24(34)19-31-20-26(32(25(31)35)17-21-9-8-10-21)13-15-27(16-14-26,29(2)3)22-11-6-5-7-12-22;2*1-21(19-31)16-24(32)18-29-20-26(30(25(29)33)17-22-8-7-9-22)12-14-27(15-13-26,28(2)3)23-10-5-4-6-11-23/h4-6,11-12,34H,7-10,13-33H2,1-3H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;4-6,10-13,19,23H,7-9,14-18,20-22H2,1-3H3;7-9,13-14,22H,10-12,15-21H2,1-6H3,(H,30,36);6-8,12-13,22H,9-11,14-21H2,1-5H3,(H,30,35);6-8,12-13,21H,9-11,14-20H2,1-5H3,(H2,29,35);5-7,11-12,21H,8-10,13-20H2,1-4H3,(H,28,33);2*4-6,10-11,21-22,31H,7-9,12-20H2,1-3H3/t;;;;;;;2*21-,26?,27?/m.......10/s1
InChIKeyHYWNMDXHYOIPSN-IJKPLMPKSA-N
XLogP33.54
TPSA718.30 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds97
Heavy Atoms339
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004686.37
LogP ≤ 533.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate with MolForge

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What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate (CID 158628364) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate is CN(C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O)C(C)(C)C(N)=O.CNC(=O)C(C)(C)CC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.CNC(=O)C(C)(C)N(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.CNC(=O)CN(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.COC(=O)c1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)nc1.COC(=O)c1cccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.COCCOCCOCCOCCOCCOCCOCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.C[C@@H](CO)CC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.C[C@H](CO)CC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate?
The InChIKey is HYWNMDXHYOIPSN-IJKPLMPKSA-N. The full InChI is InChI=1S/C39H65N3O9.2C31H40N4O4.C29H45N5O3.C29H44N4O3.C28H43N5O3.C27H41N5O3.2C27H41N3O3/c1-40(2)39(35-11-5-4-6-12-35)16-14-38(15-17-39)33-41(37(44)42(38)31-34-9-7-10-34)32-36(43)13-8-18-46-21-22-48-25-26-50-29-30-51-28-27-49-24-23-47-20-19-45-3;1-33(2)31(24-11-5-4-6-12-24)17-15-30(16-18-31)22-34(29(38)35(30)20-23-9-7-10-23)21-26(36)19-25-13-8-14-27(32-25)28(37)39-3;1-33(2)31(25-10-5-4-6-11-25)16-14-30(15-17-31)22-34(29(38)35(30)20-23-8-7-9-23)21-27(36)18-26-13-12-24(19-32-26)28(37)39-3;1-27(2,25(36)30-3)32(6)24(35)20-33-21-28(34(26(33)37)19-22-11-10-12-22)15-17-29(18-16-28,31(4)5)23-13-8-7-9-14-23;1-27(2,25(35)30-3)18-24(34)20-32-21-28(33(26(32)36)19-22-10-9-11-22)14-16-29(17-15-28,31(4)5)23-12-7-6-8-13-23;1-26(2,24(29)35)31(5)23(34)19-32-20-27(33(25(32)36)18-21-10-9-11-21)14-16-28(17-15-27,30(3)4)22-12-7-6-8-13-22;1-28-23(33)18-30(4)24(34)19-31-20-26(32(25(31)35)17-21-9-8-10-21)13-15-27(16-14-26,29(2)3)22-11-6-5-7-12-22;2*1-21(19-31)16-24(32)18-29-20-26(30(25(29)33)17-22-8-7-9-22)12-14-27(15-13-26,28(2)3)23-10-5-4-6-11-23/h4-6,11-12,34H,7-10,13-33H2,1-3H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;4-6,10-13,19,23H,7-9,14-18,20-22H2,1-3H3;7-9,13-14,22H,10-12,15-21H2,1-6H3,(H,30,36);6-8,12-13,22H,9-11,14-21H2,1-5H3,(H,30,35);6-8,12-13,21H,9-11,14-20H2,1-5H3,(H2,29,35);5-7,11-12,21H,8-10,13-20H2,1-4H3,(H,28,33);2*4-6,10-11,21-22,31H,7-9,12-20H2,1-3H3/t;;;;;;;2*21-,26?,27?/m.......10/s1.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate has a molecular weight of 4686.37 g/mol, XLogP of 33.54, 97 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4S)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4R)-5-hydroxy-4-methyl-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate is sourced from PubChem (CID 158628364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).