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

C14H24ClNO — CID 70451533

IUPAC2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
SMILESCCN(C(=O)CCl)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H24ClNO/c1-6-16(12(17)9-15)11-7-13(2,3)10-14(4,5)8-11/h7H,6,8-10H2,1-5H3
InChIKeyJRIGPUMXNWZZOG-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.80
Rot. Bonds3

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

2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide (PubChem CID 70451533) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
PubChem CID70451533
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
SMILESCCN(C(=O)CCl)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H24ClNO/c1-6-16(12(17)9-15)11-7-13(2,3)10-14(4,5)8-11/h7H,6,8-10H2,1-5H3
InChIKeyJRIGPUMXNWZZOG-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.80
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-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide (CID 70451533) is 2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide is CCN(C(=O)CCl)C1=CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The InChIKey is JRIGPUMXNWZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-6-16(12(17)9-15)11-7-13(2,3)10-14(4,5)8-11/h7H,6,8-10H2,1-5H3.
What are the key properties of 2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide has a molecular weight of 257.80 g/mol, XLogP of 3.80, 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-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 70451533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).