2-(diethylamino)ethyl 3-amino-2-butoxybenzoate

• ChemBase ID: 128286
• Molecular Formular: C17H28N2O3
• Molecular Mass: 308.41582
• Monoisotopic Mass: 308.20999277
• SMILES: CCCCOc1c(cccc1N)C(=O)OCCN(CC)CC
• Canonical SMILES: CCCCOc1c(N)cccc1C(=O)OCCN(CC)CC
• InChI: InChI=1S/C17H28N2O3/c1-4-7-12-21-16-14(9-8-10-15(16)18)17(20)22-13-11-19(5-2)6-3/h8-10H,4-7,11-13,18H2,1-3H3
• InChIKey: LJQWYEFHNLTPBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)ethyl 3-amino-2-butoxybenzoate
• IUPAC Traditional name: metabutoxycaine
• Synonyms: Metabutoxycaine

Database IDs

• CAS Number: 3624-87-1
• PubChem SID: 162222594
• PubChem CID: 19247
• Unique Ingredient Identifier: AMV9L2WT8K
• Wikipedia Title: Metabutoxycaine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.13571289
• LogD (pH = 7.4): 1.4779117
• Log P: 3.046285
• Molar Refractivity: 90.6368 cm^3
• Polarizability: 34.666412 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true