N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide

C164H239N25O19S2 — CID 161367098

IUPACN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide
SMILESCC(=O)NCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC#N)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCS(C)(=O)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2CC1CCC1.CN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.COc1ccnc(CCC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1
InChIInChI=1S/C30H41N5O3.C28H42N4O3.C27H40N4O4S.C27H41N3O4S.C26H39N5O3.C26H36N4O2/c1-33(2)30(24-10-5-4-6-11-24)17-15-29(16-18-30)22-34(28(37)35(29)20-23-8-7-9-23)21-25(36)12-13-26-31-19-14-27(32-26)38-3;1-22(33)29-18-8-13-25(34)20-31-21-27(32(26(31)35)19-23-9-7-10-23)14-16-28(17-15-27,30(2)3)24-11-5-4-6-12-24;1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(25(33)31(26)19-22-7-6-8-22)20-24(32)29-15-17-36(34,35)18-16-29;1-28(2)27(23-11-5-4-6-12-23)16-14-26(15-17-27)21-29(20-24(31)13-8-18-35(3,33)34)25(32)30(26)19-22-9-7-10-22;1-28(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-23(33)29(3)17-22(27)32)24(34)31(25)16-20-8-7-9-20;1-28(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-29(19-23(31)12-7-17-27)24(32)30(25)18-21-8-6-9-21/h4-6,10-11,14,19,23H,7-9,12-13,15-18,20-22H2,1-3H3;4-6,11-12,23H,7-10,13-21H2,1-3H3,(H,29,33);3-5,9-10,22H,6-8,11-21H2,1-2H3;4-6,11-12,22H,7-10,13-21H2,1-3H3;4-6,10-11,20H,7-9,12-19H2,1-3H3,(H2,27,32);3-5,10-11,21H,6-9,12-16,18-20H2,1-2H3
InChIKeyVPYMHJFYSCTCEZ-UHFFFAOYSA-N
MW2929.01 g/mol
LogP20.72
Rot. Bonds52

About N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide

N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide (PubChem CID 161367098) has the molecular formula C164H239N25O19S2 and a molecular weight of 2929.01 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide
PubChem CID161367098
Molecular FormulaC164H239N25O19S2
Molecular Weight2929.01 g/mol
Exact Mass2926.79
IUPAC NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide
SMILESCC(=O)NCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC#N)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCS(C)(=O)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2CC1CCC1.CN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.COc1ccnc(CCC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1
InChIInChI=1S/C30H41N5O3.C28H42N4O3.C27H40N4O4S.C27H41N3O4S.C26H39N5O3.C26H36N4O2/c1-33(2)30(24-10-5-4-6-11-24)17-15-29(16-18-30)22-34(28(37)35(29)20-23-8-7-9-23)21-25(36)12-13-26-31-19-14-27(32-26)38-3;1-22(33)29-18-8-13-25(34)20-31-21-27(32(26(31)35)19-23-9-7-10-23)14-16-28(17-15-27,30(2)3)24-11-5-4-6-12-24;1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(25(33)31(26)19-22-7-6-8-22)20-24(32)29-15-17-36(34,35)18-16-29;1-28(2)27(23-11-5-4-6-12-23)16-14-26(15-17-27)21-29(20-24(31)13-8-18-35(3,33)34)25(32)30(26)19-22-9-7-10-22;1-28(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-23(33)29(3)17-22(27)32)24(34)31(25)16-20-8-7-9-20;1-28(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-29(19-23(31)12-7-17-27)24(32)30(25)18-21-8-6-9-21/h4-6,10-11,14,19,23H,7-9,12-13,15-18,20-22H2,1-3H3;4-6,11-12,23H,7-10,13-21H2,1-3H3,(H,29,33);3-5,9-10,22H,6-8,11-21H2,1-2H3;4-6,11-12,22H,7-10,13-21H2,1-3H3;4-6,10-11,20H,7-9,12-19H2,1-3H3,(H2,27,32);3-5,10-11,21H,6-9,12-16,18-20H2,1-2H3
InChIKeyVPYMHJFYSCTCEZ-UHFFFAOYSA-N
XLogP20.72
TPSA468.91 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds52
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002929.01
LogP ≤ 520.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide with MolForge

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Related Compounds

Bis(5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one);2-(dimethylamino)-7-(2-isocyano-4-methoxypyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 158079762
CID 158391119
CID 158391119
CID 159334969
CID 159334969
CID 161225651
CID 161225651
2-(Dimethylamino)-7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-isocyano-4-methoxypyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-[2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide
CID 161665781
CID 161888814
CID 161888814
5-(Cyclobutylmethyl)-2-(dimethylamino)-7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-isocyano-4-methoxypyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 161931940

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide (CID 161367098) is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide is CC(=O)NCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC#N)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCS(C)(=O)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2CC1CCC1.CN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.COc1ccnc(CCC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide?
The InChIKey is VPYMHJFYSCTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O3.C28H42N4O3.C27H40N4O4S.C27H41N3O4S.C26H39N5O3.C26H36N4O2/c1-33(2)30(24-10-5-4-6-11-24)17-15-29(16-18-30)22-34(28(37)35(29)20-23-8-7-9-23)21-25(36)12-13-26-31-19-14-27(32-26)38-3;1-22(33)29-18-8-13-25(34)20-31-21-27(32(26(31)35)19-23-9-7-10-23)14-16-28(17-15-27,30(2)3)24-11-5-4-6-12-24;1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(25(33)31(26)19-22-7-6-8-22)20-24(32)29-15-17-36(34,35)18-16-29;1-28(2)27(23-11-5-4-6-12-23)16-14-26(15-17-27)21-29(20-24(31)13-8-18-35(3,33)34)25(32)30(26)19-22-9-7-10-22;1-28(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-23(33)29(3)17-22(27)32)24(34)31(25)16-20-8-7-9-20;1-28(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-29(19-23(31)12-7-17-27)24(32)30(25)18-21-8-6-9-21/h4-6,10-11,14,19,23H,7-9,12-13,15-18,20-22H2,1-3H3;4-6,11-12,23H,7-10,13-21H2,1-3H3,(H,29,33);3-5,9-10,22H,6-8,11-21H2,1-2H3;4-6,11-12,22H,7-10,13-21H2,1-3H3;4-6,10-11,20H,7-9,12-19H2,1-3H3,(H2,27,32);3-5,10-11,21H,6-9,12-16,18-20H2,1-2H3.
What are the key properties of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide?
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide has a molecular weight of 2929.01 g/mol, XLogP of 20.72, 52 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile;N-[5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentyl]acetamide is sourced from PubChem (CID 161367098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).