N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide

C30H36N4O4 — CID 91938074

IUPACN-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C30H36N4O4/c1-21-10-9-13-23(20-21)26(35)31-25(22-11-5-3-6-12-22)27(36)33-18-16-30(17-19-33)28(37)32(2)29(38)34(30)24-14-7-4-8-15-24/h4,7-10,13-15,20,22,25H,3,5-6,11-12,16-19H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyWFHYLAWROUXHOF-RUZDIDTESA-N
MW516.64 g/mol
LogP4.13
Rot. Bonds5

About N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide

N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide (PubChem CID 91938074) has the molecular formula C30H36N4O4 and a molecular weight of 516.64 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide
PubChem CID91938074
Molecular FormulaC30H36N4O4
Molecular Weight516.64 g/mol
Exact Mass516.27
IUPAC NameN-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C30H36N4O4/c1-21-10-9-13-23(20-21)26(35)31-25(22-11-5-3-6-12-22)27(36)33-18-16-30(17-19-33)28(37)32(2)29(38)34(30)24-14-7-4-8-15-24/h4,7-10,13-15,20,22,25H,3,5-6,11-12,16-19H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyWFHYLAWROUXHOF-RUZDIDTESA-N
XLogP4.13
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 118417701
3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 123840274
3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198790
3,5-dichloro-N-[(2R)-3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 118417345
3-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 46020042
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 93199073
N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016050
3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46020159
2-fluoro-3-methyl-N-[(2R,3R)-3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentan-2-yl]benzamide
CID 118417673
3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93200710
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
3-ethyl-5-fluoro-N-[(2R)-3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 129205927

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide (CID 91938074) is N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccccc2)C2CCCCC2)c1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is WFHYLAWROUXHOF-RUZDIDTESA-N. The full InChI is InChI=1S/C30H36N4O4/c1-21-10-9-13-23(20-21)26(35)31-25(22-11-5-3-6-12-22)27(36)33-18-16-30(17-19-33)28(37)32(2)29(38)34(30)24-14-7-4-8-15-24/h4,7-10,13-15,20,22,25H,3,5-6,11-12,16-19H2,1-2H3,(H,31,35)/t25-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide?
N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 516.64 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 91938074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).