1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea

C13H18N2O2 — CID 2787273

IUPAC1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccccc1NC(=O)NCC1CCCO1
InChIInChI=1S/C13H18N2O2/c1-10-5-2-3-7-12(10)15-13(16)14-9-11-6-4-8-17-11/h2-3,5,7,11H,4,6,8-9H2,1H3,(H2,14,15,16)
InChIKeyNJABLNLHPFZSJL-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.30
Rot. Bonds3

About 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea

1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 2787273) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID2787273
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccccc1NC(=O)NCC1CCCO1
InChIInChI=1S/C13H18N2O2/c1-10-5-2-3-7-12(10)15-13(16)14-9-11-6-4-8-17-11/h2-3,5,7,11H,4,6,8-9H2,1H3,(H2,14,15,16)
InChIKeyNJABLNLHPFZSJL-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)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-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea (CID 2787273) is 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea is Cc1ccccc1NC(=O)NCC1CCCO1.
What is the InChIKey of 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is NJABLNLHPFZSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-5-2-3-7-12(10)15-13(16)14-9-11-6-4-8-17-11/h2-3,5,7,11H,4,6,8-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea?
1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 234.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 2787273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).