(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H20N2O2 — CID 40978837

IUPAC(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H20N2O2/c1-14-7-5-6-8-15(14)12-20-19(23)16-11-18(22)21(13-16)17-9-3-2-4-10-17/h2-10,16H,11-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyWYHYKXDQKDBNAJ-INIZCTEOSA-N
MW308.38 g/mol
LogP2.66
Rot. Bonds4

About (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 40978837) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID40978837
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H20N2O2/c1-14-7-5-6-8-15(14)12-20-19(23)16-11-18(22)21(13-16)17-9-3-2-4-10-17/h2-10,16H,11-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyWYHYKXDQKDBNAJ-INIZCTEOSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92900169
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155717
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
1-(3,5-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109987
1-[4-(diethylamino)-2-methylphenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191550
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55543635

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 40978837) is (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is WYHYKXDQKDBNAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-7-5-6-8-15(14)12-20-19(23)16-11-18(22)21(13-16)17-9-3-2-4-10-17/h2-10,16H,11-13H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 40978837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).