[2-(2-methoxyphenyl)ethyl]urea

• ChemBase ID: 85557
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: O=C(NCCc1ccccc1OC)N
• Canonical SMILES: COc1ccccc1CCNC(=O)N
• InChI: InChI=1S/C10H14N2O2/c1-14-9-5-3-2-4-8(9)6-7-12-10(11)13/h2-5H,6-7H2,1H3,(H3,11,12,13)
• InChIKey: DFPQFTAOLRRSFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-methoxyphenyl)ethyl]urea
• IUPAC Traditional name: 2-(2-methoxyphenyl)ethylurea
• Synonyms: N-(2-methoxyphenethyl)urea

Database IDs

• CAS Number: 69226-62-6
• MDL Number: MFCD00174101
• PubChem SID: 162072673
• PubChem CID: 2733080

CALCULATED PROPERTIES

• Acid pKa: 15.21388
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.71530527
• LogD (pH = 7.4): 0.71530527
• Log P: 0.71530527
• Molar Refractivity: 53.8701 cm^3
• Polarizability: 20.717785 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true