8-(1-aminocyclopropanecarbonyl)-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 837904
• Molecular Formular: C17H30N4O4
• Molecular Mass: 354.4445
• Monoisotopic Mass: 354.22670546
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C1(CC1)N)CC2)CCN(CCOC)C
• Canonical SMILES: COCCN(CCN1CC2(OC1=O)CCN(CC2)C(=O)C1(N)CC1)C
• InChI: InChI=1S/C17H30N4O4/c1-19(11-12-24-2)9-10-21-13-16(25-15(21)23)5-7-20(8-6-16)14(22)17(18)3-4-17/h3-13,18H2,1-2H3
• InChIKey: QDDSYPLNLYORPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-aminocyclopropanecarbonyl)-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(1-aminocyclopropanecarbonyl)-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(1-aminocyclopropyl)carbonyl]-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -6.3547506
• LogD (pH = 7.4): -2.9227903
• Log P: -1.21645
• Molar Refractivity: 93.1991 cm^3
• Polarizability: 36.764 Å^3
• Polar Surface Area: 88.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.6
• LOG S: -1.73
• Polar Surface Area: 88.34 Å^2
• Rotatable Bonds: 7