4-methyl-N-{3-[4-(morpholin-4-ylmethyl)phenoxy]propyl}benzamide

• ChemBase ID: 553085
• Molecular Formular: C22H28N2O3
• Molecular Mass: 368.46932
• Monoisotopic Mass: 368.20999277
• SMILES: C(=O)(c1ccc(cc1)C)NCCCOc1ccc(CN2CCOCC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)C)NCCCOc1ccc(cc1)CN1CCOCC1
• InChI: InChI=1S/C22H28N2O3/c1-18-3-7-20(8-4-18)22(25)23-11-2-14-27-21-9-5-19(6-10-21)17-24-12-15-26-16-13-24/h3-10H,2,11-17H2,1H3,(H,23,25)
• InChIKey: PZOXLTFBNLRSMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-{3-[4-(morpholin-4-ylmethyl)phenoxy]propyl}benzamide
• IUPAC Traditional name: 4-methyl-N-{3-[4-(morpholin-4-ylmethyl)phenoxy]propyl}benzamide
• Synonyms: 4-methyl-N-{3-[4-(4-morpholinylmethyl)phenoxy]propyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.242792
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7523677
• LogD (pH = 7.4): 2.9069107
• Log P: 2.9878893
• Molar Refractivity: 108.1091 cm^3
• Polarizability: 41.414303 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.48
• LOG S: -3.88
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8