N,N-dimethyl-2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamide

• ChemBase ID: 187782
• Molecular Formular: C17H19NO4
• Molecular Mass: 301.33706
• Monoisotopic Mass: 301.13140809
• SMILES: c12c3c(oc(=O)c1CCC2)cc(cc3OCC(=O)N(C)C)C
• Canonical SMILES: Cc1cc(OCC(=O)N(C)C)c2c(c1)oc(=O)c1c2CCC1
• InChI: InChI=1S/C17H19NO4/c1-10-7-13(21-9-15(19)18(2)3)16-11-5-4-6-12(11)17(20)22-14(16)8-10/h7-8H,4-6,9H2,1-3H3
• InChIKey: RLCLUOIAGLRULC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamide
• IUPAC Traditional name: N,N-dimethyl-2-({7-methyl-4-oxo-1H,2H,3H-cyclopenta[c]chromen-9-yl}oxy)acetamide

Database IDs

• PubChem SID: 164243692
• PubChem CID: 1765441

CALCULATED PROPERTIES

• Acid pKa: 16.647923
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9332904
• LogD (pH = 7.4): 1.9332904
• Log P: 1.9332904
• Molar Refractivity: 82.1911 cm^3
• Polarizability: 31.525759 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds