1-amino-N-{2-[4-(furan-2-ylmethyl)morpholin-2-yl]ethyl}cyclopentane-1-carboxamide

• ChemBase ID: 692070
• Molecular Formular: C17H27N3O3
• Molecular Mass: 321.41458
• Monoisotopic Mass: 321.20524174
• SMILES: N1(Cc2occc2)CC(OCC1)CCNC(=O)C1(N)CCCC1
• Canonical SMILES: O=C(C1(N)CCCC1)NCCC1OCCN(C1)Cc1ccco1
• InChI: InChI=1S/C17H27N3O3/c18-17(6-1-2-7-17)16(21)19-8-5-15-13-20(9-11-23-15)12-14-4-3-10-22-14/h3-4,10,15H,1-2,5-9,11-13,18H2,(H,19,21)
• InChIKey: AXRGDNUSUNRBFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-N-{2-[4-(furan-2-ylmethyl)morpholin-2-yl]ethyl}cyclopentane-1-carboxamide
• IUPAC Traditional name: 1-amino-N-{2-[4-(furan-2-ylmethyl)morpholin-2-yl]ethyl}cyclopentane-1-carboxamide
• Synonyms: 1-amino-N-{2-[4-(2-furylmethyl)morpholin-2-yl]ethyl}cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.161965
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3667617
• LogD (pH = 7.4): -0.8632886
• Log P: 0.55669755
• Molar Refractivity: 87.808 cm^3
• Polarizability: 34.63745 Å^3
• Polar Surface Area: 80.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.28
• LOG S: -2.62
• Polar Surface Area: 80.73 Å^2
• Rotatable Bonds: 6