N-{8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}formamide

• ChemBase ID: 3650
• Molecular Formular: C15H30N2O2
• Molecular Mass: 270.4109
• Monoisotopic Mass: 270.23072821
• SMILES: C1[C@@H](O[C@H](C)CN1CCCCCCCCNC=O)C
• Canonical SMILES: O=CNCCCCCCCCN1C[C@H](C)O[C@@H](C1)C
• InChI: InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+
• InChIKey: UXVBAZRPAJEAHR-GASCZTMLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}formamide
• IUPAC Traditional name: N-{8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}formamide
• Synonyms: MF268

Database IDs

• PubChem SID: 160967088; 46507638
• PubChem CID: 5288799

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.357986
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6344548
• LogD (pH = 7.4): 1.1332201
• Log P: 2.1335802
• Molar Refractivity: 78.7173 cm^3
• Polarizability: 31.05375 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.88
• LOG S: -3.16
• Solubility (Water): 1.85e-01 g/l

DETAILS

DrugBank - DB04021

Drug information: experimental