N-butyldecanamide

C14H29NO — CID 5067874

IUPACN-butyldecanamide
SMILESCCCCCCCCCC(=O)NCCCC
InChIInChI=1S/C14H29NO/c1-3-5-7-8-9-10-11-12-14(16)15-13-6-4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyPJPQRXHORPQPNC-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.04
Rot. Bonds11

About N-butyldecanamide

N-butyldecanamide (PubChem CID 5067874) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-butyldecanamide.

Molecular Properties

Compound NameN-butyldecanamide
PubChem CID5067874
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-butyldecanamide
SMILESCCCCCCCCCC(=O)NCCCC
InChIInChI=1S/C14H29NO/c1-3-5-7-8-9-10-11-12-14(16)15-13-6-4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyPJPQRXHORPQPNC-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyldecanamide 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-butyldecanamide?
The IUPAC name of N-butyldecanamide (CID 5067874) is N-butyldecanamide.
What is the SMILES notation for N-butyldecanamide?
The canonical SMILES for N-butyldecanamide is CCCCCCCCCC(=O)NCCCC.
What is the InChIKey of N-butyldecanamide?
The InChIKey is PJPQRXHORPQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-7-8-9-10-11-12-14(16)15-13-6-4-2/h3-13H2,1-2H3,(H,15,16).
What are the key properties of N-butyldecanamide?
N-butyldecanamide has a molecular weight of 227.39 g/mol, XLogP of 4.04, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyldecanamide is sourced from PubChem (CID 5067874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).