2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide

C14H24ClNO2 — CID 12947609

IUPAC2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide
SMILESCCCOCN(C(=O)CCl)C1=C(C)CCCC1C
InChIInChI=1S/C14H24ClNO2/c1-4-8-18-10-16(13(17)9-15)14-11(2)6-5-7-12(14)3/h11H,4-10H2,1-3H3
InChIKeyJLFMPVJFRHTKLA-UHFFFAOYSA-N
MW273.80 g/mol
LogP3.53
Rot. Bonds6

About 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide

2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide (PubChem CID 12947609) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide
PubChem CID12947609
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide
SMILESCCCOCN(C(=O)CCl)C1=C(C)CCCC1C
InChIInChI=1S/C14H24ClNO2/c1-4-8-18-10-16(13(17)9-15)14-11(2)6-5-7-12(14)3/h11H,4-10H2,1-3H3
InChIKeyJLFMPVJFRHTKLA-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)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 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide (CID 12947609) is 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide is CCCOCN(C(=O)CCl)C1=C(C)CCCC1C.
What is the InChIKey of 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide?
The InChIKey is JLFMPVJFRHTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-4-8-18-10-16(13(17)9-15)14-11(2)6-5-7-12(14)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide?
2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide has a molecular weight of 273.80 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(propoxymethyl)acetamide is sourced from PubChem (CID 12947609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).