3-chloro-N-decyl-N-methylpropanamide

C14H28ClNO — CID 533193

IUPAC3-chloro-N-decyl-N-methylpropanamide
SMILESCCCCCCCCCCN(C)C(=O)CCCl
InChIInChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-10-13-16(2)14(17)11-12-15/h3-13H2,1-2H3
InChIKeyVFWVCQWSWNBFSU-UHFFFAOYSA-N
MW261.84 g/mol
LogP4.21
Rot. Bonds11

About 3-chloro-N-decyl-N-methylpropanamide

3-chloro-N-decyl-N-methylpropanamide (PubChem CID 533193) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is 3-chloro-N-decyl-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-decyl-N-methylpropanamide
PubChem CID533193
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC Name3-chloro-N-decyl-N-methylpropanamide
SMILESCCCCCCCCCCN(C)C(=O)CCCl
InChIInChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-10-13-16(2)14(17)11-12-15/h3-13H2,1-2H3
InChIKeyVFWVCQWSWNBFSU-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-decyl-N-methylpropanamide 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 3-chloro-N-decyl-N-methylpropanamide?
The IUPAC name of 3-chloro-N-decyl-N-methylpropanamide (CID 533193) is 3-chloro-N-decyl-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-decyl-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-decyl-N-methylpropanamide is CCCCCCCCCCN(C)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-decyl-N-methylpropanamide?
The InChIKey is VFWVCQWSWNBFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-10-13-16(2)14(17)11-12-15/h3-13H2,1-2H3.
What are the key properties of 3-chloro-N-decyl-N-methylpropanamide?
3-chloro-N-decyl-N-methylpropanamide has a molecular weight of 261.84 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-decyl-N-methylpropanamide is sourced from PubChem (CID 533193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).