N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide

C14H26BrNO — CID 80659315

IUPACN-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C14H26BrNO/c1-11(2)12(3)14(17)16(10-9-15)13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyPPUBMKZUIGLTLK-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.83
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide

N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide (PubChem CID 80659315) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide
PubChem CID80659315
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C14H26BrNO/c1-11(2)12(3)14(17)16(10-9-15)13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyPPUBMKZUIGLTLK-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide 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-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-(2-bromoethyl)-N-cyclopropyl-2-methylsulfonylpropanamide
CID 104522298
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide
CID 102873018
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propanamide
CID 60949797
3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid
CID 82323613
2-bromo-N-cyclohexyl-N-ethylpropanamide
CID 82110731
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide
CID 80659500
2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60952653

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide (CID 80659315) is N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide is CC(C)C(C)C(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide?
The InChIKey is PPUBMKZUIGLTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-11(2)12(3)14(17)16(10-9-15)13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide?
N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide has a molecular weight of 304.27 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide is sourced from PubChem (CID 80659315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).