2-[(3,3-diphenylpropyl)amino]acetamide

• ChemBase ID: 153789
• Molecular Formular: C17H20N2O
• Molecular Mass: 268.3535
• Monoisotopic Mass: 268.15756327
• SMILES: c1ccc(cc1)C(CCNCC(=O)N)c1ccccc1
• Canonical SMILES: NC(=O)CNCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H20N2O/c18-17(20)13-19-12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H2,18,20)
• InChIKey: BYGXICRJQZKUPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,3-diphenylpropyl)amino]acetamide
• IUPAC Traditional name: 2-[(3,3-diphenylpropyl)amino]acetamide
• Synonyms: N20C; N-(3,3-Diphenylpropyl)glycinamide

Database IDs

• MDL Number: MFCD01475935
• PubChem SID: 24278450; 162247928
• PubChem CID: 6603827

CALCULATED PROPERTIES

• Acid pKa: 16.350166
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6048984
• LogD (pH = 7.4): 0.9613161
• Log P: 2.3566883
• Molar Refractivity: 81.2124 cm^3
• Polarizability: 31.81891 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: soluble26 mg/mL
• Apperance: white solid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... GRIN1(2902), GRIN2A(2903), GRIN2B(2904), GRIN2C(2905), GRIN2D(2906), GRINA(2907)

Product Information

• Purity: >98% (HPLC)
• Empirical Formula (Hill Notation): C17H20ON2

DETAILS

Sigma Aldrich - D8816

Biochem/physiol Actions
NMDA glutamate receptor open channel blocker.