1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea

C11H14N2O2 — CID 143510984

IUPAC1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea
SMILESCc1ccc(N(C)C(=O)NCC=O)cc1
InChIInChI=1S/C11H14N2O2/c1-9-3-5-10(6-4-9)13(2)11(15)12-7-8-14/h3-6,8H,7H2,1-2H3,(H,12,15)
InChIKeyZGNOVOINTLNXII-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.34
Rot. Bonds3

About 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea

1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea (PubChem CID 143510984) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea
PubChem CID143510984
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea
SMILESCc1ccc(N(C)C(=O)NCC=O)cc1
InChIInChI=1S/C11H14N2O2/c1-9-3-5-10(6-4-9)13(2)11(15)12-7-8-14/h3-6,8H,7H2,1-2H3,(H,12,15)
InChIKeyZGNOVOINTLNXII-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea?
The IUPAC name of 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea (CID 143510984) is 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea.
What is the SMILES notation for 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea?
The canonical SMILES for 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea is Cc1ccc(N(C)C(=O)NCC=O)cc1.
What is the InChIKey of 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea?
The InChIKey is ZGNOVOINTLNXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9-3-5-10(6-4-9)13(2)11(15)12-7-8-14/h3-6,8H,7H2,1-2H3,(H,12,15).
What are the key properties of 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea?
1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea has a molecular weight of 206.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea is sourced from PubChem (CID 143510984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).