2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide

C13H22ClNO2 — CID 13052674

IUPAC2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide
SMILESCC(C)COCN(C(=O)CCl)C1=CCCCC1
InChIInChI=1S/C13H22ClNO2/c1-11(2)9-17-10-15(13(16)8-14)12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3
InChIKeyNPUXOLQYAZJIEC-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.14
Rot. Bonds6

About 2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide

2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide (PubChem CID 13052674) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide
PubChem CID13052674
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide
SMILESCC(C)COCN(C(=O)CCl)C1=CCCCC1
InChIInChI=1S/C13H22ClNO2/c1-11(2)9-17-10-15(13(16)8-14)12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3
InChIKeyNPUXOLQYAZJIEC-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.14
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-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide?
The IUPAC name of 2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide (CID 13052674) is 2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide is CC(C)COCN(C(=O)CCl)C1=CCCCC1.
What is the InChIKey of 2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide?
The InChIKey is NPUXOLQYAZJIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c1-11(2)9-17-10-15(13(16)8-14)12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3.
What are the key properties of 2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide?
2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide has a molecular weight of 259.78 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexen-1-yl)-N-(2-methylpropoxymethyl)acetamide is sourced from PubChem (CID 13052674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).