N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide

C12H22BrNO2 — CID 80659612

IUPACN-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
SMILESCCOCC(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C12H22BrNO2/c1-2-16-10-12(15)14(9-8-13)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyACKWWRJLWPTRHC-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.58
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide

N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide (PubChem CID 80659612) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
PubChem CID80659612
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
SMILESCCOCC(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C12H22BrNO2/c1-2-16-10-12(15)14(9-8-13)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyACKWWRJLWPTRHC-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloropropyl)-N-cyclobutyl-2-ethoxyacetamide
CID 102871906
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-(2-bromoethyl)-N-cyclopropylpropanamide
CID 80665634
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
CID 113227391
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
2-(2-aminoethoxy)-N-cyclopentyl-N-ethylacetamide
CID 79473978
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide
CID 77044603
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
CID 80659519

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide (CID 80659612) is N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide is CCOCC(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide?
The InChIKey is ACKWWRJLWPTRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-2-16-10-12(15)14(9-8-13)11-6-4-3-5-7-11/h11H,2-10H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide?
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide has a molecular weight of 292.22 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide is sourced from PubChem (CID 80659612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).