N-benzyl-N-(5-oxopentyl)acetamide

C14H19NO2 — CID 11586698

IUPACN-benzyl-N-(5-oxopentyl)acetamide
SMILESCC(=O)N(CCCCC=O)Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-13(17)15(10-6-3-7-11-16)12-14-8-4-2-5-9-14/h2,4-5,8-9,11H,3,6-7,10,12H2,1H3
InChIKeySKJZKXACMVOLKY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds7

About N-benzyl-N-(5-oxopentyl)acetamide

N-benzyl-N-(5-oxopentyl)acetamide (PubChem CID 11586698) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-benzyl-N-(5-oxopentyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(5-oxopentyl)acetamide
PubChem CID11586698
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-benzyl-N-(5-oxopentyl)acetamide
SMILESCC(=O)N(CCCCC=O)Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-13(17)15(10-6-3-7-11-16)12-14-8-4-2-5-9-14/h2,4-5,8-9,11H,3,6-7,10,12H2,1H3
InChIKeySKJZKXACMVOLKY-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-N-(5-oxopentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-oxopentyl)acetamide?
The IUPAC name of N-benzyl-N-(5-oxopentyl)acetamide (CID 11586698) is N-benzyl-N-(5-oxopentyl)acetamide.
What is the SMILES notation for N-benzyl-N-(5-oxopentyl)acetamide?
The canonical SMILES for N-benzyl-N-(5-oxopentyl)acetamide is CC(=O)N(CCCCC=O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(5-oxopentyl)acetamide?
The InChIKey is SKJZKXACMVOLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-13(17)15(10-6-3-7-11-16)12-14-8-4-2-5-9-14/h2,4-5,8-9,11H,3,6-7,10,12H2,1H3.
What are the key properties of N-benzyl-N-(5-oxopentyl)acetamide?
N-benzyl-N-(5-oxopentyl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-oxopentyl)acetamide is sourced from PubChem (CID 11586698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).