2-propylpentanamide

• ChemBase ID: 3784
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: CCCC(CCC)C(=O)N
• Canonical SMILES: CCCC(C(=O)N)CCC
• InChI: InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
• InChIKey: OMOMUFTZPTXCHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propylpentanamide
• IUPAC Traditional name: dipropylacetamide; valpromide
• Synonyms: Heptane-4-carboxamide; 2-n-Propylpentanamide; 2,2-Di-n-propylacetamide; Valpromide; 2-Propylvaleramide; 2-propyl-pentanamide; Depamid; Depamide; Di-n-propylacetamide; Dipropylacetamide; Valeramide; Valpromide; 2,2-二-正丙基乙酰胺

Database IDs

• CAS Number: 2430-27-5
• EC Number: 219-394-2
• MDL Number: MFCD00051534
• Beilstein Number: 1750444
• Merck Index: 149914
• PubChem SID: 160967221; 46508099
• PubChem CID: 71113

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.092386
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9915084
• LogD (pH = 7.4): 1.9915085
• Log P: 1.9915085
• Molar Refractivity: 42.0713 cm^3
• Polarizability: 16.67138 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.38
• LOG S: -1.61
• Solubility (Water): 3.52e+00 g/l

PROPERTIES

Physical Property

• Solubility: DMSO: >10 mg/mL
• Apperance: white to off-white powder
• Melting Point: 123-127°C

Safety Information

• RTECS: YV5965500
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A
• Storage Temperature: room temp

Product Information

• Purity: ≥97% (NMR); 97%
• Empirical Formula (Hill Notation): C8H17NO

DETAILS

DrugBank - DB04165

Drug information: experimental

Sigma Aldrich - V3640

Biochem/physiol Actions
Valpromide (VPD) is a derivative of valproic acid (VPA) and is used as an antiepileptic drug. It is hydrolyzed quickly to VPA in vivo, but has intrinsic anticonvulsant activity.