N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C24H28N2O2 — CID 17257415

IUPACN-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C24H28N2O2/c27-22-16-20(17-26(22)21-14-8-3-9-15-21)24(28)25-23(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21,23H,3,8-9,14-17H2,(H,25,28)
InChIKeyTYRKRGVOCPBXSR-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.07
Rot. Bonds5

About N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17257415) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17257415
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C24H28N2O2/c27-22-16-20(17-26(22)21-14-8-3-9-15-21)24(28)25-23(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21,23H,3,8-9,14-17H2,(H,25,28)
InChIKeyTYRKRGVOCPBXSR-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 46566073
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119136689
1-cyclopentyl-N-(2-hydroxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110931202
(3R)-1-cyclopropyl-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 92601337
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110605730
(3S)-N-[(S)-cyclohexyl(phenyl)methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124792699
(3S)-1-cyclopropyl-N-[(1S)-1,2-diphenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32580925
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400697
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 17257415) is N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TYRKRGVOCPBXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-22-16-20(17-26(22)21-14-8-3-9-15-21)24(28)25-23(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21,23H,3,8-9,14-17H2,(H,25,28).
What are the key properties of N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17257415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).