(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide

C20H22N2O2 — CID 41178267

IUPAC(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O
InChIInChI=1S/C20H22N2O2/c1-14-8-6-7-11-18(14)22-13-17(12-19(22)23)20(24)21-15(2)16-9-4-3-5-10-16/h3-11,15,17H,12-13H2,1-2H3,(H,21,24)/t15-,17+/m0/s1
InChIKeyZMUYTMNDRRUCKD-DOTOQJQBSA-N
MW322.41 g/mol
LogP3.23
Rot. Bonds4

About (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 41178267) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID41178267
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O
InChIInChI=1S/C20H22N2O2/c1-14-8-6-7-11-18(14)22-13-17(12-19(22)23)20(24)21-15(2)16-9-4-3-5-10-16/h3-11,15,17H,12-13H2,1-2H3,(H,21,24)/t15-,17+/m0/s1
InChIKeyZMUYTMNDRRUCKD-DOTOQJQBSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080682
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113187102
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
methyl 2-[2-oxo-4-(1-phenylethylcarbamoyl)pyrrolidin-1-yl]benzoate
CID 113189141
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
1-(2-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46586593
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 17080743
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9056335

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 41178267) is (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide is Cc1ccccc1N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O.
What is the InChIKey of (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is ZMUYTMNDRRUCKD-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-8-6-7-11-18(14)22-13-17(12-19(22)23)20(24)21-15(2)16-9-4-3-5-10-16/h3-11,15,17H,12-13H2,1-2H3,(H,21,24)/t15-,17+/m0/s1.
What are the key properties of (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 41178267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).