N-methyl-4-(morpholin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

• ChemBase ID: 754465
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: N(C1c2c(CCC1)cccc2)(C(=O)CCCN1CCOCC1)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)CCCN1CCOCC1
• InChI: InChI=1S/C19H28N2O2/c1-20(18-9-4-7-16-6-2-3-8-17(16)18)19(22)10-5-11-21-12-14-23-15-13-21/h2-3,6,8,18H,4-5,7,9-15H2,1H3
• InChIKey: URLLONAYOKVQEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(morpholin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
• IUPAC Traditional name: N-methyl-4-(morpholin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
• Synonyms: N-methyl-4-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.63076246
• LogD (pH = 7.4): 2.118058
• Log P: 2.329002
• Molar Refractivity: 93.0116 cm^3
• Polarizability: 36.158234 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.02
• LOG S: -3.23
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5