(2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-dimethylcarbamate

• ChemBase ID: 200906
• Molecular Formular: C21H19NO5
• Molecular Mass: 365.37926
• Monoisotopic Mass: 365.12632271
• SMILES: c12c(O/C(=C\C=C\c3c(OC)cccc3)/C1=O)cc(OC(=O)N(C)C)cc2
• Canonical SMILES: COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)N(C)C
• InChI: InChI=1S/C21H19NO5/c1-22(2)21(24)26-15-11-12-16-19(13-15)27-18(20(16)23)10-6-8-14-7-4-5-9-17(14)25-3/h4-13H,1-3H3/b8-6+,18-10-
• InChIKey: AEEGMAALJWKTOQ-FHTUUITISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-dimethylcarbamate
• IUPAC Traditional name: (2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-1-benzofuran-6-yl N,N-dimethylcarbamate

Database IDs

• PubChem SID: 164256816
• PubChem CID: 1805928

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2928863
• LogD (pH = 7.4): 3.2928863
• Log P: 3.2928863
• Molar Refractivity: 103.4306 cm^3
• Polarizability: 38.641983 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds