N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide

C20H22N2O3 — CID 40898594

IUPACN-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-18-9-7-17(8-10-18)20(24)21-12-16-11-19(23)22(14-16)13-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyREUYPHBWMZSHBF-INIZCTEOSA-N
MW338.41 g/mol
LogP2.47
Rot. Bonds6

About N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide

N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide (PubChem CID 40898594) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
PubChem CID40898594
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-18-9-7-17(8-10-18)20(24)21-12-16-11-19(23)22(14-16)13-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyREUYPHBWMZSHBF-INIZCTEOSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 16919284
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2,4-dimethoxybenzamide
CID 16919286
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 16919361
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7281674

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide (CID 40898594) is N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide?
The InChIKey is REUYPHBWMZSHBF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-18-9-7-17(8-10-18)20(24)21-12-16-11-19(23)22(14-16)13-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide?
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 40898594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).