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

• ChemBase ID: 224301
• Molecular Formular: C15H18N2O3
• Molecular Mass: 274.31502
• Monoisotopic Mass: 274.13174245
• SMILES: c1c(c2c(oc1=O)cccc2)NCCCN(C(=O)C)C
• Canonical SMILES: CC(=O)N(CCCNc1cc(=O)oc2c1cccc2)C
• InChI: InChI=1S/C15H18N2O3/c1-11(18)17(2)9-5-8-16-13-10-15(19)20-14-7-4-3-6-12(13)14/h3-4,6-7,10,16H,5,8-9H2,1-2H3
• InChIKey: JUOAMFZJAQCSQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164280211
• PubChem CID: 30343058

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13057493
• LogD (pH = 7.4): 0.13070908
• Log P: 0.1307108
• Molar Refractivity: 77.0287 cm^3
• Polarizability: 29.097383 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds