N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide

C16H22N2O5 — CID 108984057

IUPACN-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C16H22N2O5/c1-21-12-8-11(9-13(22-2)14(12)23-3)18-16(20)15(19)17-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHPKXLANIRYXRNK-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.71
Rot. Bonds5

About N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide

N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide (PubChem CID 108984057) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide
PubChem CID108984057
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC NameN-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C16H22N2O5/c1-21-12-8-11(9-13(22-2)14(12)23-3)18-16(20)15(19)17-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHPKXLANIRYXRNK-UHFFFAOYSA-N
XLogP1.71
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)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-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972
N-cyclopentyl-N'-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679550
1-cyclohexyl-3-[(3,4,5-trimethoxybenzoyl)amino]urea
CID 1358989
(Z)-2-cyano-N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 839975
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-(2,4-dimethoxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987426
N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987472
N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987482
2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide?
The IUPAC name of N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide (CID 108984057) is N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide is COc1cc(NC(=O)C(=O)NC2CCCC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide?
The InChIKey is HPKXLANIRYXRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-21-12-8-11(9-13(22-2)14(12)23-3)18-16(20)15(19)17-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide?
N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide has a molecular weight of 322.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide is sourced from PubChem (CID 108984057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).