(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide

C21H24N2O3 — CID 67621202

IUPAC(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-18-11-9-17(10-12-18)20(24)15-23-13-5-8-19(23)21(25)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyHLAUAWKOCJBZQF-IBGZPJMESA-N
MW352.43 g/mol
LogP2.66
Rot. Bonds7

About (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide

(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 67621202) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID67621202
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-18-11-9-17(10-12-18)20(24)15-23-13-5-8-19(23)21(25)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyHLAUAWKOCJBZQF-IBGZPJMESA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 22878906
1-[2-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 62030100
(2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 67619591
(2S)-N-benzyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 67619248
(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67620978
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 10222332
(2S)-N-benzyl-1-[2-(1-methylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621172
(2S)-N-benzyl-1-[4-(4-methylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 110305940
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 62037784

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 67621202) is (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide is COc1ccc(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is HLAUAWKOCJBZQF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-18-11-9-17(10-12-18)20(24)15-23-13-5-8-19(23)21(25)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67621202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).