N-methyl-N-{3-[(2-oxo-2H-chromen-4-yl)amino]propyl}pentanamide

• ChemBase ID: 224351
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: c1c(c2c(oc1=O)cccc2)NCCCN(C(=O)CCCC)C
• Canonical SMILES: CCCCC(=O)N(CCCNc1cc(=O)oc2c1cccc2)C
• InChI: InChI=1S/C18H24N2O3/c1-3-4-10-17(21)20(2)12-7-11-19-15-13-18(22)23-16-9-6-5-8-14(15)16/h5-6,8-9,13,19H,3-4,7,10-12H2,1-2H3
• InChIKey: BGIXERHUSYCLHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{3-[(2-oxo-2H-chromen-4-yl)amino]propyl}pentanamide
• IUPAC Traditional name: N-methyl-N-{3-[(2-oxochromen-4-yl)amino]propyl}pentanamide

Database IDs

• PubChem SID: 164280261
• PubChem CID: 30343072

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7202461
• LogD (pH = 7.4): 1.7203822
• Log P: 1.720384
• Molar Refractivity: 90.8576 cm^3
• Polarizability: 34.61458 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds