N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C21H23N3O5 — CID 30679617

IUPACN'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1
InChIInChI=1S/C21H23N3O5/c1-13-6-8-17(28-2)15(11-13)23-21(27)20(26)22-14-7-9-18(29-3)16(12-14)24-10-4-5-19(24)25/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyKEKMXQIXRZRJFA-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.72
Rot. Bonds5

About N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 30679617) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID30679617
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1
InChIInChI=1S/C21H23N3O5/c1-13-6-8-17(28-2)15(11-13)23-21(27)20(26)22-14-7-9-18(29-3)16(12-14)24-10-4-5-19(24)25/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyKEKMXQIXRZRJFA-UHFFFAOYSA-N
XLogP2.72
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide 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'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 44901794
N-cyclopentyl-N'-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679550
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N'-(2-methoxy-5-methylphenyl)-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 18577979
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 146136090
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55657173
N'-(5-chloro-2-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 44901687
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 30679617) is N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is COc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is KEKMXQIXRZRJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13-6-8-17(28-2)15(11-13)23-21(27)20(26)22-14-7-9-18(29-3)16(12-14)24-10-4-5-19(24)25/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 397.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 30679617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).