(3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide

C20H28N2O2 — CID 129419133

IUPAC(3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H28N2O2/c1-14-7-6-10-18(15(14)2)21-20(24)17-11-19(23)22(13-17)12-16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13H2,1-2H3,(H,21,24)/t14-,15+,17-,18+/m1/s1
InChIKeyAZRWZNKJLDSBFB-ATLSCFEFSA-N
MW328.46 g/mol
LogP2.98
Rot. Bonds4

About (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 129419133) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID129419133
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H28N2O2/c1-14-7-6-10-18(15(14)2)21-20(24)17-11-19(23)22(13-17)12-16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13H2,1-2H3,(H,21,24)/t14-,15+,17-,18+/m1/s1
InChIKeyAZRWZNKJLDSBFB-ATLSCFEFSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-benzyl-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51671621
N-[2-(aminomethyl)cyclopentyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119602492
1-[(4-methylphenyl)methyl]-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120574389
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 98681861
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
CID 75398712
N-[3-(aminomethyl)pentan-3-yl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119570033
N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39354010
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide (CID 129419133) is (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AZRWZNKJLDSBFB-ATLSCFEFSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-7-6-10-18(15(14)2)21-20(24)17-11-19(23)22(13-17)12-16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13H2,1-2H3,(H,21,24)/t14-,15+,17-,18+/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 129419133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).