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

C21H24N2O2 — CID 8570864

IUPAC(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-3-16-9-7-8-12-19(16)22-21(25)18-13-20(24)23(14-18)15(2)17-10-5-4-6-11-17/h4-12,15,18H,3,13-14H2,1-2H3,(H,22,25)/t15-,18+/m1/s1
InChIKeyVJPIUCWZZXDAIV-QAPCUYQASA-N
MW336.44 g/mol
LogP3.80
Rot. Bonds5

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

(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 8570864) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID8570864
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-3-16-9-7-8-12-19(16)22-21(25)18-13-20(24)23(14-18)15(2)17-10-5-4-6-11-17/h4-12,15,18H,3,13-14H2,1-2H3,(H,22,25)/t15-,18+/m1/s1
InChIKeyVJPIUCWZZXDAIV-QAPCUYQASA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzylphenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 42916089
(3R)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40938053
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 86953047
N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 166332182
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
N-(2-methoxy-3-pyridinyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 53499094
ethyl [4-[[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931586
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
N-[2-(2-chloropropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572284
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 94480588
(3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40974865

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 8570864) is (3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is CCc1ccccc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1.
What is the InChIKey of (3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is VJPIUCWZZXDAIV-QAPCUYQASA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-16-9-7-8-12-19(16)22-21(25)18-13-20(24)23(14-18)15(2)17-10-5-4-6-11-17/h4-12,15,18H,3,13-14H2,1-2H3,(H,22,25)/t15-,18+/m1/s1.
What are the key properties of (3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 8570864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).