1,1-dimethyl-3-(2-methylphenyl)urea

C10H14N2O — CID 4612351

IUPAC1,1-dimethyl-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C)C
InChIInChI=1S/C10H14N2O/c1-8-6-4-5-7-9(8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKeyHEUDNCPBUYZJDR-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.09
Rot. Bonds1

About 1,1-dimethyl-3-(2-methylphenyl)urea

1,1-dimethyl-3-(2-methylphenyl)urea (PubChem CID 4612351) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-methylphenyl)urea
PubChem CID4612351
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1,1-dimethyl-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C)C
InChIInChI=1S/C10H14N2O/c1-8-6-4-5-7-9(8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKeyHEUDNCPBUYZJDR-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-3-(2-methylphenyl)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 1,1-dimethyl-3-(2-methylphenyl)urea?
The IUPAC name of 1,1-dimethyl-3-(2-methylphenyl)urea (CID 4612351) is 1,1-dimethyl-3-(2-methylphenyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(2-methylphenyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-(2-methylphenyl)urea?
The InChIKey is HEUDNCPBUYZJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-6-4-5-7-9(8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13).
What are the key properties of 1,1-dimethyl-3-(2-methylphenyl)urea?
1,1-dimethyl-3-(2-methylphenyl)urea has a molecular weight of 178.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-methylphenyl)urea is sourced from PubChem (CID 4612351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).