3-amino-N,N-dimethyl-4-(propan-2-yloxy)benzamide

• ChemBase ID: 124153
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: C(=O)(c1cc(c(OC(C)C)cc1)N)N(C)C
• Canonical SMILES: CC(Oc1ccc(cc1N)C(=O)N(C)C)C
• InChI: InChI=1S/C12H18N2O2/c1-8(2)16-11-6-5-9(7-10(11)13)12(15)14(3)4/h5-8H,13H2,1-4H3
• InChIKey: YYOJNGKWBZCOQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N-dimethyl-4-(propan-2-yloxy)benzamide
• IUPAC Traditional name: 3-amino-4-isopropoxy-N,N-dimethylbenzamide
• Synonyms: 3-amino-4-isopropoxy-N,N-dimethylbenzamide

Database IDs

• PubChem SID: 162218506
• PubChem CID: 37912853

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0555241
• LogD (pH = 7.4): 1.0579925
• Log P: 1.058024
• Molar Refractivity: 65.2608 cm^3
• Polarizability: 24.18545 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true