1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

C230H335N33O33S2 — CID 158835656

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)N(CC(=O)CCCO)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(S(C)(=O)=O)n1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cncnc1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncc(O)cn1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)C1CCS(=O)(=O)CC1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(=O)N(C)C)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCOCCOCCOCCOCCOCCOCCOC)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N(C)C(C)(C)C(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C38H63N3O9.C30H40N4O4S.2C28H37N5O3.C27H41N5O3.C27H40N4O3.C27H39N3O4S.C25H38N4O4/c1-39-38(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;1-32(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)39(3,37)38;1-31(2)28(22-9-4-3-5-10-22)13-11-27(12-14-28)20-32(26(36)33(27)18-21-7-6-8-21)19-23(34)15-25-29-16-24(35)17-30-25;1-31(2)28(23-7-4-3-5-8-23)13-11-26(12-14-28)19-32(18-24(34)15-22-16-29-21-30-17-22)25(35)33(26)20-27(36)9-6-10-27;1-25(2,23(28)34)30(4)22(33)18-31-19-26(32(24(31)35)17-20-9-8-10-20)13-15-27(29-3,16-14-26)21-11-6-5-7-12-21;1-28-27(22-10-5-4-6-11-22)16-14-26(15-17-27)20-30(19-23(32)12-13-24(33)29(2)3)25(34)31(26)18-21-8-7-9-21;1-28-27(23-8-3-2-4-9-23)14-12-26(13-15-27)20-29(25(32)30(26)18-21-6-5-7-21)19-24(31)22-10-16-35(33,34)17-11-22;1-26(2)22(32)18-29-23(33)28(17-21(31)11-8-16-30)19-24(29)12-14-25(15-13-24,27(3)4)20-9-6-5-7-10-20/h3-5,10-11,33,39H,6-9,12-32H2,1-2H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;3-5,9-10,16-17,21,35H,6-8,11-15,18-20H2,1-2H3;3-5,7-8,16-17,21,36H,6,9-15,18-20H2,1-2H3;5-7,11-12,20,29H,8-10,13-19H2,1-4H3,(H2,28,34);4-6,10-11,21,28H,7-9,12-20H2,1-3H3;2-4,8-9,21-22,28H,5-7,10-20H2,1H3;5-7,9-10,30H,8,11-19H2,1-4H3
InChIKeyIXPFTZACKFXVOA-UHFFFAOYSA-N
MW4154.54 g/mol
LogP25.90
Rot. Bonds86

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (PubChem CID 158835656) has the molecular formula C230H335N33O33S2 and a molecular weight of 4154.54 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
PubChem CID158835656
Molecular FormulaC230H335N33O33S2
Molecular Weight4154.54 g/mol
Exact Mass4151.50
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)N(CC(=O)CCCO)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(S(C)(=O)=O)n1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cncnc1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncc(O)cn1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)C1CCS(=O)(=O)CC1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(=O)N(C)C)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCOCCOCCOCCOCCOCCOCCOC)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N(C)C(C)(C)C(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C38H63N3O9.C30H40N4O4S.2C28H37N5O3.C27H41N5O3.C27H40N4O3.C27H39N3O4S.C25H38N4O4/c1-39-38(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;1-32(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)39(3,37)38;1-31(2)28(22-9-4-3-5-10-22)13-11-27(12-14-28)20-32(26(36)33(27)18-21-7-6-8-21)19-23(34)15-25-29-16-24(35)17-30-25;1-31(2)28(23-7-4-3-5-8-23)13-11-26(12-14-28)19-32(18-24(34)15-22-16-29-21-30-17-22)25(35)33(26)20-27(36)9-6-10-27;1-25(2,23(28)34)30(4)22(33)18-31-19-26(32(24(31)35)17-20-9-8-10-20)13-15-27(29-3,16-14-26)21-11-6-5-7-12-21;1-28-27(22-10-5-4-6-11-22)16-14-26(15-17-27)20-30(19-23(32)12-13-24(33)29(2)3)25(34)31(26)18-21-8-7-9-21;1-28-27(23-8-3-2-4-9-23)14-12-26(13-15-27)20-29(25(32)30(26)18-21-6-5-7-21)19-24(31)22-10-16-35(33,34)17-11-22;1-26(2)22(32)18-29-23(33)28(17-21(31)11-8-16-30)19-24(29)12-14-25(15-13-24,27(3)4)20-9-6-5-7-10-20/h3-5,10-11,33,39H,6-9,12-32H2,1-2H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;3-5,9-10,16-17,21,35H,6-8,11-15,18-20H2,1-2H3;3-5,7-8,16-17,21,36H,6,9-15,18-20H2,1-2H3;5-7,11-12,20,29H,8-10,13-19H2,1-4H3,(H2,28,34);4-6,10-11,21,28H,7-9,12-20H2,1-3H3;2-4,8-9,21-22,28H,5-7,10-20H2,1H3;5-7,9-10,30H,8,11-19H2,1-4H3
InChIKeyIXPFTZACKFXVOA-UHFFFAOYSA-N
XLogP25.90
TPSA731.02 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds86
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004154.54
LogP ≤ 525.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (CID 158835656) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)N(CC(=O)CCCO)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(S(C)(=O)=O)n1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cncnc1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncc(O)cn1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)C1CCS(=O)(=O)CC1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(=O)N(C)C)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCOCCOCCOCCOCCOCCOCCOC)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N(C)C(C)(C)C(N)=O)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The InChIKey is IXPFTZACKFXVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H63N3O9.C30H40N4O4S.2C28H37N5O3.C27H41N5O3.C27H40N4O3.C27H39N3O4S.C25H38N4O4/c1-39-38(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;1-32(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)39(3,37)38;1-31(2)28(22-9-4-3-5-10-22)13-11-27(12-14-28)20-32(26(36)33(27)18-21-7-6-8-21)19-23(34)15-25-29-16-24(35)17-30-25;1-31(2)28(23-7-4-3-5-8-23)13-11-26(12-14-28)19-32(18-24(34)15-22-16-29-21-30-17-22)25(35)33(26)20-27(36)9-6-10-27;1-25(2,23(28)34)30(4)22(33)18-31-19-26(32(24(31)35)17-20-9-8-10-20)13-15-27(29-3,16-14-26)21-11-6-5-7-12-21;1-28-27(22-10-5-4-6-11-22)16-14-26(15-17-27)20-30(19-23(32)12-13-24(33)29(2)3)25(34)31(26)18-21-8-7-9-21;1-28-27(23-8-3-2-4-9-23)14-12-26(13-15-27)20-29(25(32)30(26)18-21-6-5-7-21)19-24(31)22-10-16-35(33,34)17-11-22;1-26(2)22(32)18-29-23(33)28(17-21(31)11-8-16-30)19-24(29)12-14-25(15-13-24,27(3)4)20-9-6-5-7-10-20/h3-5,10-11,33,39H,6-9,12-32H2,1-2H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;3-5,9-10,16-17,21,35H,6-8,11-15,18-20H2,1-2H3;3-5,7-8,16-17,21,36H,6,9-15,18-20H2,1-2H3;5-7,11-12,20,29H,8-10,13-19H2,1-4H3,(H2,28,34);4-6,10-11,21,28H,7-9,12-20H2,1-3H3;2-4,8-9,21-22,28H,5-7,10-20H2,1H3;5-7,9-10,30H,8,11-19H2,1-4H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide has a molecular weight of 4154.54 g/mol, XLogP of 25.90, 86 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-hydroxypyrimidin-2-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfonyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[2-(1,1-dioxothian-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;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]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyrimidin-5-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 158835656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).