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

C15H26ClNO2 — CID 12947604

IUPAC2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide
SMILESCC1=C(N(COCC(C)C)C(=O)CCl)C(C)CCC1
InChIInChI=1S/C15H26ClNO2/c1-11(2)9-19-10-17(14(18)8-16)15-12(3)6-5-7-13(15)4/h11-12H,5-10H2,1-4H3
InChIKeyACXVSJIQMCVKCA-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.78
Rot. Bonds6

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

2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide (PubChem CID 12947604) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide
PubChem CID12947604
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC Name2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide
SMILESCC1=C(N(COCC(C)C)C(=O)CCl)C(C)CCC1
InChIInChI=1S/C15H26ClNO2/c1-11(2)9-19-10-17(14(18)8-16)15-12(3)6-5-7-13(15)4/h11-12H,5-10H2,1-4H3
InChIKeyACXVSJIQMCVKCA-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide (CID 12947604) is 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide is CC1=C(N(COCC(C)C)C(=O)CCl)C(C)CCC1.
What is the InChIKey of 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide?
The InChIKey is ACXVSJIQMCVKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2/c1-11(2)9-19-10-17(14(18)8-16)15-12(3)6-5-7-13(15)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide?
2-chloro-N-(2,6-dimethylcyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide has a molecular weight of 287.83 g/mol, XLogP of 3.78, 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-(2-methylpropoxymethyl)acetamide is sourced from PubChem (CID 12947604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).