2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide

C12H22BrNO — CID 24704184

IUPAC2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCC(C)C(Br)C(=O)NC1CCCCC1C
InChIInChI=1S/C12H22BrNO/c1-8(2)11(13)12(15)14-10-7-5-4-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15)
InChIKeyWEOVVBCNLWNKKA-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.10
Rot. Bonds3

About 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide

2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide (PubChem CID 24704184) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide
PubChem CID24704184
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCC(C)C(Br)C(=O)NC1CCCCC1C
InChIInChI=1S/C12H22BrNO/c1-8(2)11(13)12(15)14-10-7-5-4-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15)
InChIKeyWEOVVBCNLWNKKA-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide 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

(2S)-2-bromo-N-cycloheptyl-3-methylbutanamide
CID 93300412
3-methyl-N-(2-methylcycloheptyl)-2-sulfanylbutanamide
CID 107031478
2,3-dimethyl-4-[(2-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 103496162
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
3-(ethylamino)-2-methyl-N-(2-methylcyclohexyl)propanamide
CID 62853775
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
(2-methylcyclohexyl)urea
CID 3345444
(2S)-3-methyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]butanoic acid
CID 942050
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide (CID 24704184) is 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide is CC(C)C(Br)C(=O)NC1CCCCC1C.
What is the InChIKey of 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide?
The InChIKey is WEOVVBCNLWNKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-8(2)11(13)12(15)14-10-7-5-4-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide?
2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide has a molecular weight of 276.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide is sourced from PubChem (CID 24704184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).