N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate

C220H325N35O27S — CID 160555602

IUPACN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCS(C)(=O)=O)C(=O)N2CC1(O)CCC1.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(NC)(c3ccccc3)CC2)N(CC2CCC2)C1=O.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(N)=O)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC1CCC1.COC(=O)c1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)nc1
InChIInChI=1S/C31H40N4O4.C29H45N5O3.C29H44N4O3.C28H43N5O3.C27H41N3O5S.C26H39N5O3.C25H37N5O3.C25H36N4O3/c1-33(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(2)27(22-9-5-4-6-10-22)16-14-25(15-17-27)20-29(19-23(31)11-7-18-36(3,34)35)24(32)30(25)21-26(33)12-8-13-26;1-27-22(32)17-29(3)23(33)18-30-19-25(31(24(30)34)16-20-8-7-9-20)12-14-26(28-2,15-13-25)21-10-5-4-6-11-21;1-27-25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-29(17-22(32)28(2)16-21(26)31)23(33)30(24)15-19-7-6-8-19;1-27-25(20-8-3-2-4-9-20)14-12-24(13-15-25)18-28(17-21(30)10-11-22(26)31)23(32)29(24)16-19-6-5-7-19/h4-6,10-13,19,23H,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);4-6,9-10,33H,7-8,11-21H2,1-3H3;4-6,10-11,20,28H,7-9,12-19H2,1-3H3,(H,27,32);3-5,9-10,19,27H,6-8,11-18H2,1-2H3,(H2,26,31);2-4,8-9,19,27H,5-7,10-18H2,1H3,(H2,26,31)
InChIKeyQYQILMSIDIALFN-UHFFFAOYSA-N
MW3924.30 g/mol
LogP24.25
Rot. Bonds69

About N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate

N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 160555602) has the molecular formula C220H325N35O27S and a molecular weight of 3924.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 CID160555602
Molecular FormulaC220H325N35O27S
Molecular Weight3924.30 g/mol
Exact Mass3921.49
IUPAC NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCS(C)(=O)=O)C(=O)N2CC1(O)CCC1.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(NC)(c3ccccc3)CC2)N(CC2CCC2)C1=O.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(N)=O)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC1CCC1.COC(=O)c1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)nc1
InChIInChI=1S/C31H40N4O4.C29H45N5O3.C29H44N4O3.C28H43N5O3.C27H41N3O5S.C26H39N5O3.C25H37N5O3.C25H36N4O3/c1-33(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(2)27(22-9-5-4-6-10-22)16-14-25(15-17-27)20-29(19-23(31)11-7-18-36(3,34)35)24(32)30(25)21-26(33)12-8-13-26;1-27-22(32)17-29(3)23(33)18-30-19-25(31(24(30)34)16-20-8-7-9-20)12-14-26(28-2,15-13-25)21-10-5-4-6-11-21;1-27-25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-29(17-22(32)28(2)16-21(26)31)23(33)30(24)15-19-7-6-8-19;1-27-25(20-8-3-2-4-9-20)14-12-24(13-15-25)18-28(17-21(30)10-11-22(26)31)23(32)29(24)16-19-6-5-7-19/h4-6,10-13,19,23H,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);4-6,9-10,33H,7-8,11-21H2,1-3H3;4-6,10-11,20,28H,7-9,12-19H2,1-3H3,(H,27,32);3-5,9-10,19,27H,6-8,11-18H2,1-2H3,(H2,26,31);2-4,8-9,19,27H,5-7,10-18H2,1H3,(H2,26,31)
InChIKeyQYQILMSIDIALFN-UHFFFAOYSA-N
XLogP24.25
TPSA700.34 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds69
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003924.30
LogP ≤ 524.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 160555602) is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCS(C)(=O)=O)C(=O)N2CC1(O)CCC1.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(NC)(c3ccccc3)CC2)N(CC2CCC2)C1=O.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(N)=O)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC1CCC1.COC(=O)c1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)nc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 QYQILMSIDIALFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O4.C29H45N5O3.C29H44N4O3.C28H43N5O3.C27H41N3O5S.C26H39N5O3.C25H37N5O3.C25H36N4O3/c1-33(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(2)27(22-9-5-4-6-10-22)16-14-25(15-17-27)20-29(19-23(31)11-7-18-36(3,34)35)24(32)30(25)21-26(33)12-8-13-26;1-27-22(32)17-29(3)23(33)18-30-19-25(31(24(30)34)16-20-8-7-9-20)12-14-26(28-2,15-13-25)21-10-5-4-6-11-21;1-27-25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-29(17-22(32)28(2)16-21(26)31)23(33)30(24)15-19-7-6-8-19;1-27-25(20-8-3-2-4-9-20)14-12-24(13-15-25)18-28(17-21(30)10-11-22(26)31)23(32)29(24)16-19-6-5-7-19/h4-6,10-13,19,23H,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);4-6,9-10,33H,7-8,11-21H2,1-3H3;4-6,10-11,20,28H,7-9,12-19H2,1-3H3,(H,27,32);3-5,9-10,19,27H,6-8,11-18H2,1-2H3,(H2,26,31);2-4,8-9,19,27H,5-7,10-18H2,1H3,(H2,26,31).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate?
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 3924.30 g/mol, XLogP of 24.25, 69 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;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;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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 160555602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).