4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide

C30H38N2O4 — CID 146036654

IUPAC4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide
SMILESO=C1N(C2CCCCC2)C(O)(C(=O)NC2CCCCC2)C(c2ccccc2)C1(O)Cc1ccccc1
InChIInChI=1S/C30H38N2O4/c33-27(31-24-17-9-3-10-18-24)30(36)26(23-15-7-2-8-16-23)29(35,21-22-13-5-1-6-14-22)28(34)32(30)25-19-11-4-12-20-25/h1-2,5-8,13-16,24-26,35-36H,3-4,9-12,17-21H2,(H,31,33)
InChIKeyAHNUAAZKCPWMEG-UHFFFAOYSA-N
MW490.64 g/mol
LogP4.06
Rot. Bonds6

About 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide

4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide (PubChem CID 146036654) has the molecular formula C30H38N2O4 and a molecular weight of 490.64 g/mol. Its IUPAC name is 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide
PubChem CID146036654
Molecular FormulaC30H38N2O4
Molecular Weight490.64 g/mol
Exact Mass490.28
IUPAC Name4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide
SMILESO=C1N(C2CCCCC2)C(O)(C(=O)NC2CCCCC2)C(c2ccccc2)C1(O)Cc1ccccc1
InChIInChI=1S/C30H38N2O4/c33-27(31-24-17-9-3-10-18-24)30(36)26(23-15-7-2-8-16-23)29(35,21-22-13-5-1-6-14-22)28(34)32(30)25-19-11-4-12-20-25/h1-2,5-8,13-16,24-26,35-36H,3-4,9-12,17-21H2,(H,31,33)
InChIKeyAHNUAAZKCPWMEG-UHFFFAOYSA-N
XLogP4.06
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.64
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19163991
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N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide
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benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-cyclohexylacetamide
CID 40617195
(3R)-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
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(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668090
N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 46260775
2-cyclohexyl-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 20885760
3-phenylpropyl 4-(cyclohexylamino)-4-oxobutanoate
CID 4779106
N-benzyl-N'-cyclohexylpropanediamide
CID 108942512

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide (CID 146036654) is 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide is O=C1N(C2CCCCC2)C(O)(C(=O)NC2CCCCC2)C(c2ccccc2)C1(O)Cc1ccccc1.
What is the InChIKey of 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide?
The InChIKey is AHNUAAZKCPWMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O4/c33-27(31-24-17-9-3-10-18-24)30(36)26(23-15-7-2-8-16-23)29(35,21-22-13-5-1-6-14-22)28(34)32(30)25-19-11-4-12-20-25/h1-2,5-8,13-16,24-26,35-36H,3-4,9-12,17-21H2,(H,31,33).
What are the key properties of 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide?
4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide has a molecular weight of 490.64 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 146036654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).