N-(2-chloroethyl)-N-methyldodecanamide

C15H30ClNO — CID 3020139

IUPACN-(2-chloroethyl)-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)CCCl
InChIInChI=1S/C15H30ClNO/c1-3-4-5-6-7-8-9-10-11-12-15(18)17(2)14-13-16/h3-14H2,1-2H3
InChIKeyJSSZMWBPDFEYBN-UHFFFAOYSA-N
MW275.86 g/mol
LogP4.60
Rot. Bonds12

About N-(2-chloroethyl)-N-methyldodecanamide

N-(2-chloroethyl)-N-methyldodecanamide (PubChem CID 3020139) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyldodecanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyldodecanamide
PubChem CID3020139
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC NameN-(2-chloroethyl)-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)CCCl
InChIInChI=1S/C15H30ClNO/c1-3-4-5-6-7-8-9-10-11-12-15(18)17(2)14-13-16/h3-14H2,1-2H3
InChIKeyJSSZMWBPDFEYBN-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 54.60
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 N-(2-chloroethyl)-N-methyldodecanamide 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-(2-chloroethyl)-N-methyldodecanamide?
The IUPAC name of N-(2-chloroethyl)-N-methyldodecanamide (CID 3020139) is N-(2-chloroethyl)-N-methyldodecanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-methyldodecanamide?
The canonical SMILES for N-(2-chloroethyl)-N-methyldodecanamide is CCCCCCCCCCCC(=O)N(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-N-methyldodecanamide?
The InChIKey is JSSZMWBPDFEYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO/c1-3-4-5-6-7-8-9-10-11-12-15(18)17(2)14-13-16/h3-14H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-methyldodecanamide?
N-(2-chloroethyl)-N-methyldodecanamide has a molecular weight of 275.86 g/mol, XLogP of 4.60, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyldodecanamide is sourced from PubChem (CID 3020139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).