(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C16H22N2O2 — CID 9350964

IUPAC(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1
InChIInChI=1S/C16H22N2O2/c1-4-12(3)17-16(20)13-9-15(19)18(10-13)14-8-6-5-7-11(14)2/h5-8,12-13H,4,9-10H2,1-3H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyRWDFXLLSVYISJD-CHWSQXEVSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds4

About (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9350964) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9350964
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1
InChIInChI=1S/C16H22N2O2/c1-4-12(3)17-16(20)13-9-15(19)18(10-13)14-8-6-5-7-11(14)2/h5-8,12-13H,4,9-10H2,1-3H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyRWDFXLLSVYISJD-CHWSQXEVSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 17080743
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
(3R)-N-[(2S)-butan-2-yl]-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124750296
N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187561
N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191706
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080682
N-(3-methylbutyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080735
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(3S)-1-(2,3-dimethylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 35509762
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9350964) is (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1.
What is the InChIKey of (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RWDFXLLSVYISJD-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12(3)17-16(20)13-9-15(19)18(10-13)14-8-6-5-7-11(14)2/h5-8,12-13H,4,9-10H2,1-3H3,(H,17,20)/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9350964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).