(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H20N2O3 — CID 34363990

IUPAC(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-5-8-16(11-17)20-19(23)15-10-18(22)21(13-15)12-14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyRLXXDPJLHJFDGP-HNNXBMFYSA-N
MW324.38 g/mol
LogP2.68
Rot. Bonds5

About (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 34363990) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID34363990
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-5-8-16(11-17)20-19(23)15-10-18(22)21(13-15)12-14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyRLXXDPJLHJFDGP-HNNXBMFYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46802994
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46402015
tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917137

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 34363990) is (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1.
What is the InChIKey of (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RLXXDPJLHJFDGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-9-5-8-16(11-17)20-19(23)15-10-18(22)21(13-15)12-14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 34363990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).