2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide

C12H20ClNO2 — CID 13052670

IUPAC2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide
SMILESCCOCN(C(=O)CCl)C1=C(C)CCCC1
InChIInChI=1S/C12H20ClNO2/c1-3-16-9-14(12(15)8-13)11-7-5-4-6-10(11)2/h3-9H2,1-2H3
InChIKeyATTUIDGWGRSRGL-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.90
Rot. Bonds5

About 2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide

2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide (PubChem CID 13052670) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide
PubChem CID13052670
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide
SMILESCCOCN(C(=O)CCl)C1=C(C)CCCC1
InChIInChI=1S/C12H20ClNO2/c1-3-16-9-14(12(15)8-13)11-7-5-4-6-10(11)2/h3-9H2,1-2H3
InChIKeyATTUIDGWGRSRGL-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.90
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-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide (CID 13052670) is 2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide is CCOCN(C(=O)CCl)C1=C(C)CCCC1.
What is the InChIKey of 2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide?
The InChIKey is ATTUIDGWGRSRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-3-16-9-14(12(15)8-13)11-7-5-4-6-10(11)2/h3-9H2,1-2H3.
What are the key properties of 2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide?
2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide has a molecular weight of 245.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(ethoxymethyl)-N-(2-methylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 13052670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).