N-hexadecylacetamide

C18H37NO — CID 3322721

IUPACN-hexadecylacetamide
SMILESCCCCCCCCCCCCCCCCNC(C)=O
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2)20/h3-17H2,1-2H3,(H,19,20)
InChIKeyWZGQRPGQTOSEMN-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.60
Rot. Bonds15

About N-hexadecylacetamide

N-hexadecylacetamide (PubChem CID 3322721) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-hexadecylacetamide.

Molecular Properties

Compound NameN-hexadecylacetamide
PubChem CID3322721
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-hexadecylacetamide
SMILESCCCCCCCCCCCCCCCCNC(C)=O
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2)20/h3-17H2,1-2H3,(H,19,20)
InChIKeyWZGQRPGQTOSEMN-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-hexadecylacetamide 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-hexadecylacetamide?
The IUPAC name of N-hexadecylacetamide (CID 3322721) is N-hexadecylacetamide.
What is the SMILES notation for N-hexadecylacetamide?
The canonical SMILES for N-hexadecylacetamide is CCCCCCCCCCCCCCCCNC(C)=O.
What is the InChIKey of N-hexadecylacetamide?
The InChIKey is WZGQRPGQTOSEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2)20/h3-17H2,1-2H3,(H,19,20).
What are the key properties of N-hexadecylacetamide?
N-hexadecylacetamide has a molecular weight of 283.50 g/mol, XLogP of 5.60, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecylacetamide is sourced from PubChem (CID 3322721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).