1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate

C243H361N31O34S — CID 158509803

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(S(C)=O)n1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccnc(C#N)n1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCOCCOCCOCCOCCOCCOCCOC)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1.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)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.C[C@H](CO)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C39H65N3O9.C38H63N3O9.C31H40N4O4.C30H40N4O3S.C29H36N6O2.C26H39N5O3.2C25H39N3O2/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;1-39-38(34-10-4-3-5-11-34)15-13-37(14-16-38)32-40(36(43)41(37)30-33-8-6-9-33)31-35(42)12-7-17-45-20-21-47-24-25-49-28-29-50-27-26-48-23-22-46-19-18-44-2;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;1-32(2)30(24-11-5-4-6-12-24)17-15-29(16-18-30)22-33(28(36)34(29)20-23-9-7-10-23)21-26(35)19-25-13-8-14-27(31-25)38(3)37;1-33(2)29(23-9-4-3-5-10-23)14-12-28(13-15-29)21-34(27(37)35(28)19-22-7-6-8-22)20-25(36)17-24-11-16-31-26(18-30)32-24;1-24(2,22(27)33)29-21(32)17-30-18-25(31(23(30)34)16-19-8-7-9-19)12-14-26(28-3,15-13-25)20-10-5-4-6-11-20;2*1-20(18-29)16-27-19-24(28(23(27)30)17-21-8-7-9-21)12-14-25(15-13-24,26(2)3)22-10-5-4-6-11-22/h4-6,11-12,34H,7-10,13-33H2,1-3H3;3-5,10-11,33,39H,6-9,12-32H2,1-2H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;3-5,9-11,16,22H,6-8,12-15,17,19-21H2,1-2H3;4-6,10-11,19,28H,7-9,12-18H2,1-3H3,(H2,27,33)(H,29,32);2*4-6,10-11,20-21,29H,7-9,12-19H2,1-3H3/t;;;;;;2*20-,24?,25?/m......10/s1
InChIKeyHKXJNUCRQQOJCK-NZJRYTNJSA-N
MW4292.81 g/mol
LogP30.91
Rot. Bonds104

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate (PubChem CID 158509803) has the molecular formula C243H361N31O34S and a molecular weight of 4292.81 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate
PubChem CID158509803
Molecular FormulaC243H361N31O34S
Molecular Weight4292.81 g/mol
Exact Mass4289.72
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(S(C)=O)n1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccnc(C#N)n1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCOCCOCCOCCOCCOCCOCCOC)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1.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)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.C[C@H](CO)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C39H65N3O9.C38H63N3O9.C31H40N4O4.C30H40N4O3S.C29H36N6O2.C26H39N5O3.2C25H39N3O2/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;1-39-38(34-10-4-3-5-11-34)15-13-37(14-16-38)32-40(36(43)41(37)30-33-8-6-9-33)31-35(42)12-7-17-45-20-21-47-24-25-49-28-29-50-27-26-48-23-22-46-19-18-44-2;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;1-32(2)30(24-11-5-4-6-12-24)17-15-29(16-18-30)22-33(28(36)34(29)20-23-9-7-10-23)21-26(35)19-25-13-8-14-27(31-25)38(3)37;1-33(2)29(23-9-4-3-5-10-23)14-12-28(13-15-29)21-34(27(37)35(28)19-22-7-6-8-22)20-25(36)17-24-11-16-31-26(18-30)32-24;1-24(2,22(27)33)29-21(32)17-30-18-25(31(23(30)34)16-19-8-7-9-19)12-14-26(28-3,15-13-25)20-10-5-4-6-11-20;2*1-20(18-29)16-27-19-24(28(23(27)30)17-21-8-7-9-21)12-14-25(15-13-24,26(2)3)22-10-5-4-6-11-22/h4-6,11-12,34H,7-10,13-33H2,1-3H3;3-5,10-11,33,39H,6-9,12-32H2,1-2H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;3-5,9-11,16,22H,6-8,12-15,17,19-21H2,1-2H3;4-6,10-11,19,28H,7-9,12-18H2,1-3H3,(H2,27,33)(H,29,32);2*4-6,10-11,20-21,29H,7-9,12-19H2,1-3H3/t;;;;;;2*20-,24?,25?/m......10/s1
InChIKeyHKXJNUCRQQOJCK-NZJRYTNJSA-N
XLogP30.91
TPSA677.84 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds104
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004292.81
LogP ≤ 530.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate (CID 158509803) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(S(C)=O)n1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccnc(C#N)n1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCOCCOCCOCCOCCOCCOCCOC)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1.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)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.C[C@H](CO)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate?
The InChIKey is HKXJNUCRQQOJCK-NZJRYTNJSA-N. The full InChI is InChI=1S/C39H65N3O9.C38H63N3O9.C31H40N4O4.C30H40N4O3S.C29H36N6O2.C26H39N5O3.2C25H39N3O2/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;1-39-38(34-10-4-3-5-11-34)15-13-37(14-16-38)32-40(36(43)41(37)30-33-8-6-9-33)31-35(42)12-7-17-45-20-21-47-24-25-49-28-29-50-27-26-48-23-22-46-19-18-44-2;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;1-32(2)30(24-11-5-4-6-12-24)17-15-29(16-18-30)22-33(28(36)34(29)20-23-9-7-10-23)21-26(35)19-25-13-8-14-27(31-25)38(3)37;1-33(2)29(23-9-4-3-5-10-23)14-12-28(13-15-29)21-34(27(37)35(28)19-22-7-6-8-22)20-25(36)17-24-11-16-31-26(18-30)32-24;1-24(2,22(27)33)29-21(32)17-30-18-25(31(23(30)34)16-19-8-7-9-19)12-14-26(28-3,15-13-25)20-10-5-4-6-11-20;2*1-20(18-29)16-27-19-24(28(23(27)30)17-21-8-7-9-21)12-14-25(15-13-24,26(2)3)22-10-5-4-6-11-22/h4-6,11-12,34H,7-10,13-33H2,1-3H3;3-5,10-11,33,39H,6-9,12-32H2,1-2H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;3-5,9-11,16,22H,6-8,12-15,17,19-21H2,1-2H3;4-6,10-11,19,28H,7-9,12-18H2,1-3H3,(H2,27,33)(H,29,32);2*4-6,10-11,20-21,29H,7-9,12-19H2,1-3H3/t;;;;;;2*20-,24?,25?/m......10/s1.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate has a molecular weight of 4292.81 g/mol, XLogP of 30.91, 104 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2S)-3-hydroxy-2-methylpropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(2R)-3-hydroxy-2-methylpropyl]-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;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-3-[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-2-carboxylate is sourced from PubChem (CID 158509803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).