N-{2,8-dioxo-3,9-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl}-2-phenoxyacetamide

• ChemBase ID: 227923
• Molecular Formular: C20H19N3O4
• Molecular Mass: 365.38256
• Monoisotopic Mass: 365.1375561
• SMILES: C1(=O)N2C(C(=O)Nc3c1cc(NC(=O)COc1ccccc1)cc3)CCC2
• Canonical SMILES: O=C(Nc1ccc2c(c1)C(=O)N1CCCC1C(=O)N2)COc1ccccc1
• InChI: InChI=1S/C20H19N3O4/c24-18(12-27-14-5-2-1-3-6-14)21-13-8-9-16-15(11-13)20(26)23-10-4-7-17(23)19(25)22-16/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,21,24)(H,22,25)
• InChIKey: OBTCIZFVUCPPKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2,8-dioxo-3,9-diazatricyclo[8.4.0.0^3,^7]tetradeca-1(10),11,13-trien-13-yl}-2-phenoxyacetamide
• IUPAC Traditional name: N-{2,8-dioxo-3,9-diazatricyclo[8.4.0.0^3,^7]tetradeca-1(10),11,13-trien-13-yl}-2-phenoxyacetamide

Database IDs

• PubChem SID: 164283833
• PubChem CID: 71755042

CALCULATED PROPERTIES

• Acid pKa: 11.941949
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.232645
• LogD (pH = 7.4): 2.2326334
• Log P: 2.2326453
• Molar Refractivity: 101.3451 cm^3
• Polarizability: 37.292507 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds