N3-[2-(3-methoxyphenoxy)ethyl]-N1,N1,N3-trimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 339061
• Molecular Formular: C19H29N3O4
• Molecular Mass: 363.45126
• Monoisotopic Mass: 363.21580642
• SMILES: C(=O)(N1CC(C(=O)N(CCOc2cc(OC)ccc2)C)CCC1)N(C)C
• Canonical SMILES: COc1cccc(c1)OCCN(C(=O)C1CCCN(C1)C(=O)N(C)C)C
• InChI: InChI=1S/C19H29N3O4/c1-20(2)19(24)22-10-6-7-15(14-22)18(23)21(3)11-12-26-17-9-5-8-16(13-17)25-4/h5,8-9,13,15H,6-7,10-12,14H2,1-4H3
• InChIKey: UIOOGFBEEDTSRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[2-(3-methoxyphenoxy)ethyl]-N1,N1,N3-trimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[2-(3-methoxyphenoxy)ethyl]-N1,N1,N3-trimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-[2-(3-methoxyphenoxy)ethyl]-N~1~,N~1~,N~3~-trimethyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8866761
• LogD (pH = 7.4): 0.8866764
• Log P: 0.8866764
• Molar Refractivity: 99.5883 cm^3
• Polarizability: 38.47076 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.48
• LOG S: -3.11
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 6