N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

• ChemBase ID: 332332
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(C2c3c(CCC2)cccc3)C)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C22H25N3O2/c1-15-10-11-17(14-20(15)25-13-12-23-22(25)27)21(26)24(2)19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,10-11,14,19H,5,7,9,12-13H2,1-2H3,(H,23,27)
• InChIKey: WIODMBOYBAIEJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• IUPAC Traditional name: N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• Synonyms: N,4-dimethyl-3-(2-oxo-1-imidazolidinyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3183076
• LogD (pH = 7.4): 3.3183076
• Log P: 3.3183076
• Molar Refractivity: 106.3487 cm^3
• Polarizability: 40.041145 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.06
• LOG S: -3.61
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3