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

C15H26ClNO2 — CID 12947611

IUPACN-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide
SMILESCCCCOCN(C(=O)CCl)C1=C(C)CCCC1C
InChIInChI=1S/C15H26ClNO2/c1-4-5-9-19-11-17(14(18)10-16)15-12(2)7-6-8-13(15)3/h12H,4-11H2,1-3H3
InChIKeyKISCYAWSUSJAMR-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.92
Rot. Bonds7

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

N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide (PubChem CID 12947611) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide
PubChem CID12947611
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC NameN-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide
SMILESCCCCOCN(C(=O)CCl)C1=C(C)CCCC1C
InChIInChI=1S/C15H26ClNO2/c1-4-5-9-19-11-17(14(18)10-16)15-12(2)7-6-8-13(15)3/h12H,4-11H2,1-3H3
InChIKeyKISCYAWSUSJAMR-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.92
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide?
The IUPAC name of N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide (CID 12947611) is N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide?
The canonical SMILES for N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide is CCCCOCN(C(=O)CCl)C1=C(C)CCCC1C.
What is the InChIKey of N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide?
The InChIKey is KISCYAWSUSJAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2/c1-4-5-9-19-11-17(14(18)10-16)15-12(2)7-6-8-13(15)3/h12H,4-11H2,1-3H3.
What are the key properties of N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide?
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide has a molecular weight of 287.83 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethyl)-2-chloro-N-(2,6-dimethylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 12947611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).