N-({3-[3-(dimethylamino)propoxy]-4-methoxyphenyl}methyl)-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

• ChemBase ID: 621259
• Molecular Formular: C30H33N3O3
• Molecular Mass: 483.60132
• Monoisotopic Mass: 483.25219193
• SMILES: C(=O)(N(Cc1cnccc1)Cc1cc(c(cc1)OC)OCCCN(C)C)c1c2c(ccc1)cccc2
• Canonical SMILES: COc1ccc(cc1OCCCN(C)C)CN(C(=O)c1cccc2c1cccc2)Cc1cccnc1
• InChI: InChI=1S/C30H33N3O3/c1-32(2)17-8-18-36-29-19-23(14-15-28(29)35-3)21-33(22-24-9-7-16-31-20-24)30(34)27-13-6-11-25-10-4-5-12-26(25)27/h4-7,9-16,19-20H,8,17-18,21-22H2,1-3H3
• InChIKey: FUTVDSKGWKEJNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[3-(dimethylamino)propoxy]-4-methoxyphenyl}methyl)-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
• IUPAC Traditional name: N-({3-[3-(dimethylamino)propoxy]-4-methoxyphenyl}methyl)-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
• Synonyms: N-{3-[3-(dimethylamino)propoxy]-4-methoxybenzyl}-N-(3-pyridinylmethyl)-1-naphthamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.87340117
• LogD (pH = 7.4): 2.4012694
• Log P: 4.2552505
• Molar Refractivity: 144.2592 cm^3
• Polarizability: 56.6085 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.72
• LOG S: -3.98
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 9