N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide

C13H17ClN2O4 — CID 7585408

IUPACN'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)OC
InChIInChI=1S/C13H17ClN2O4/c1-8-4-5-9(6-10(8)14)16-13(18)12(17)15-7-11(19-2)20-3/h4-6,11H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyZAZQYKROPYAZGO-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.32
Rot. Bonds5

About N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide

N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide (PubChem CID 7585408) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
PubChem CID7585408
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)OC
InChIInChI=1S/C13H17ClN2O4/c1-8-4-5-9(6-10(8)14)16-13(18)12(17)15-7-11(19-2)20-3/h4-6,11H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyZAZQYKROPYAZGO-UHFFFAOYSA-N
XLogP1.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)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'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
N'-(4-chloro-3-nitrophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108512803
N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893757
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide
CID 7292869

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide (CID 7585408) is N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)OC.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide?
The InChIKey is ZAZQYKROPYAZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-8-4-5-9(6-10(8)14)16-13(18)12(17)15-7-11(19-2)20-3/h4-6,11H,7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide?
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide has a molecular weight of 300.74 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 7585408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).