N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide

C21H24N2O3 — CID 7547885

IUPACN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-4-8-19(9-5-14)26-13-20(24)22-17-11-21(25)23(12-17)18-7-6-15(2)16(3)10-18/h4-10,17H,11-13H2,1-3H3,(H,22,24)/t17-/m0/s1
InChIKeyRKKJOEHIUFWZGQ-KRWDZBQOSA-N
MW352.43 g/mol
LogP2.91
Rot. Bonds5

About N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide

N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 7547885) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID7547885
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-4-8-19(9-5-14)26-13-20(24)22-17-11-21(25)23(12-17)18-7-6-15(2)16(3)10-18/h4-10,17H,11-13H2,1-3H3,(H,22,24)/t17-/m0/s1
InChIKeyRKKJOEHIUFWZGQ-KRWDZBQOSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide 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-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547881
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 16822158
2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7547833
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide
CID 16822159
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetamide
CID 16822122
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822124
2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7564324
3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 7255127
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099
2-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822193

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide (CID 7547885) is N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1.
What is the InChIKey of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is RKKJOEHIUFWZGQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-4-8-19(9-5-14)26-13-20(24)22-17-11-21(25)23(12-17)18-7-6-15(2)16(3)10-18/h4-10,17H,11-13H2,1-3H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide?
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 7547885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).