2-({8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-N,N-dimethylacetamide

• ChemBase ID: 190178
• Molecular Formular: C18H17NO5
• Molecular Mass: 327.33128
• Monoisotopic Mass: 327.11067265
• SMILES: c1(=O)c2c(c3c(o1)cc(OCC(=O)N(C)C)cc3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OCC(=O)N(C)C
• InChI: InChI=1S/C18H17NO5/c1-19(2)17(20)10-23-12-5-7-14-13-6-4-11(22-3)8-15(13)18(21)24-16(14)9-12/h4-9H,10H2,1-3H3
• InChIKey: RKGDHKVKKPATNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-({8-methoxy-6-oxobenzo[c]chromen-3-yl}oxy)-N,N-dimethylacetamide

Database IDs

• PubChem SID: 164246088
• PubChem CID: 713556

CALCULATED PROPERTIES

• Acid pKa: 16.648941
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7283777
• LogD (pH = 7.4): 1.7283777
• Log P: 1.7283777
• Molar Refractivity: 87.5657 cm^3
• Polarizability: 34.8722 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds