N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide

C18H20N2O3 — CID 4241326

IUPACN'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCOc2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16(14(2)12-13)20-18(22)17(21)19-10-11-23-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQJRDLDJHVJNCND-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.44
Rot. Bonds5

About N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide

N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide (PubChem CID 4241326) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
PubChem CID4241326
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCOc2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16(14(2)12-13)20-18(22)17(21)19-10-11-23-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQJRDLDJHVJNCND-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)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

1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108524113
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
1-(4-bromo-2-methylphenyl)-3-(3-phenoxypropyl)urea
CID 108883260
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride
CID 108887125
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide (CID 4241326) is N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCOc2ccccc2)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide?
The InChIKey is QJRDLDJHVJNCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-9-16(14(2)12-13)20-18(22)17(21)19-10-11-23-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide?
N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide has a molecular weight of 312.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide is sourced from PubChem (CID 4241326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).