2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide

C13H22ClNO — CID 13453683

IUPAC2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide
SMILESCCN(C(=O)CCl)C1=CC(C)(C)CC(C)C1
InChIInChI=1S/C13H22ClNO/c1-5-15(12(16)9-14)11-6-10(2)7-13(3,4)8-11/h8,10H,5-7,9H2,1-4H3
InChIKeyGHHIDYKHPDKACM-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide

2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide (PubChem CID 13453683) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide
PubChem CID13453683
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide
SMILESCCN(C(=O)CCl)C1=CC(C)(C)CC(C)C1
InChIInChI=1S/C13H22ClNO/c1-5-15(12(16)9-14)11-6-10(2)7-13(3,4)8-11/h8,10H,5-7,9H2,1-4H3
InChIKeyGHHIDYKHPDKACM-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide (CID 13453683) is 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide is CCN(C(=O)CCl)C1=CC(C)(C)CC(C)C1.
What is the InChIKey of 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide?
The InChIKey is GHHIDYKHPDKACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c1-5-15(12(16)9-14)11-6-10(2)7-13(3,4)8-11/h8,10H,5-7,9H2,1-4H3.
What are the key properties of 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide?
2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide has a molecular weight of 243.78 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(3,3,5-trimethylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 13453683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).