(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide

C20H22N2O2 — CID 92668243

IUPAC(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-15-10-12-17(13-11-15)21-19(23)18-9-6-14-22(18)20(24)16-7-4-3-5-8-16/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyMWUSGPJRDSNMKP-SFHVURJKSA-N
MW322.41 g/mol
LogP3.49
Rot. Bonds4

About (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide

(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 92668243) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
PubChem CID92668243
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-15-10-12-17(13-11-15)21-19(23)18-9-6-14-22(18)20(24)16-7-4-3-5-8-16/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyMWUSGPJRDSNMKP-SFHVURJKSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 136577370
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
(2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide
CID 52904723
1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 112845834
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide (CID 92668243) is (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide is CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is MWUSGPJRDSNMKP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-15-10-12-17(13-11-15)21-19(23)18-9-6-14-22(18)20(24)16-7-4-3-5-8-16/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92668243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).