N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C19H20N2O2 — CID 17120559

IUPACN-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)N(C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C19H20N2O2/c1-14-7-6-10-17(11-14)21-13-15(12-18(21)22)19(23)20(2)16-8-4-3-5-9-16/h3-11,15H,12-13H2,1-2H3
InChIKeyLJNISVCYWQIAGM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.01
Rot. Bonds3

About N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 17120559) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID17120559
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)N(C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C19H20N2O2/c1-14-7-6-10-17(11-14)21-13-15(12-18(21)22)19(23)20(2)16-8-4-3-5-9-16/h3-11,15H,12-13H2,1-2H3
InChIKeyLJNISVCYWQIAGM-UHFFFAOYSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
(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-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113190339
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
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
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892198
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6491186

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 17120559) is N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)N(C)c3ccccc3)CC2=O)c1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is LJNISVCYWQIAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-7-6-10-17(11-14)21-13-15(12-18(21)22)19(23)20(2)16-8-4-3-5-9-16/h3-11,15H,12-13H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17120559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).