(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide

C18H18N2O2 — CID 40720221

IUPAC(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-19(15-8-4-2-5-9-15)18(22)14-12-17(21)20(13-14)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/t14-/m0/s1
InChIKeyLWOGSLRBMPZTCO-AWEZNQCLSA-N
MW294.35 g/mol
LogP2.70
Rot. Bonds3

About (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide

(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide (PubChem CID 40720221) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
PubChem CID40720221
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-19(15-8-4-2-5-9-15)18(22)14-12-17(21)20(13-14)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/t14-/m0/s1
InChIKeyLWOGSLRBMPZTCO-AWEZNQCLSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187256
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 34319195
methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189313
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113190339
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 54792451
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 55611555

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide (CID 40720221) is (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide is CN(C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide?
The InChIKey is LWOGSLRBMPZTCO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19(15-8-4-2-5-9-15)18(22)14-12-17(21)20(13-14)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide?
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 40720221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).