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

C20H22N2O3 — CID 92668241

IUPAC(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-17-12-10-16(11-13-17)21-19(23)18-9-6-14-22(18)20(24)15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyIKGZVVRVMMSJMP-SFHVURJKSA-N
MW338.41 g/mol
LogP3.33
Rot. Bonds5

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

(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 92668241) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID92668241
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-17-12-10-16(11-13-17)21-19(23)18-9-6-14-22(18)20(24)15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyIKGZVVRVMMSJMP-SFHVURJKSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127517
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 136577370
(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-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide (CID 92668241) is (2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide is CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of (2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is IKGZVVRVMMSJMP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-25-17-12-10-16(11-13-17)21-19(23)18-9-6-14-22(18)20(24)15-7-4-3-5-8-15/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-ethoxyphenyl)pyrrolidine-2-carboxamide?
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92668241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).