N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide

C15H28BrNO — CID 106355007

IUPACN-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
SMILESCC(C)C(CCBr)NC(=O)CCC1CCCCC1
InChIInChI=1S/C15H28BrNO/c1-12(2)14(10-11-16)17-15(18)9-8-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyHLZHLBKLBSQRLQ-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.27
Rot. Bonds7

About N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide

N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide (PubChem CID 106355007) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
PubChem CID106355007
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
SMILESCC(C)C(CCBr)NC(=O)CCC1CCCCC1
InChIInChI=1S/C15H28BrNO/c1-12(2)14(10-11-16)17-15(18)9-8-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyHLZHLBKLBSQRLQ-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide 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-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106354559
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
N-(1-bromo-4-methylpentan-3-yl)-3-(oxolan-2-yl)propanamide
CID 106355140
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
CID 114151280
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide
CID 106355279
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
CID 63930209
N-(1-bromo-4-methylpentan-3-yl)hexanamide
CID 106355062
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide (CID 106355007) is N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide is CC(C)C(CCBr)NC(=O)CCC1CCCCC1.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide?
The InChIKey is HLZHLBKLBSQRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-12(2)14(10-11-16)17-15(18)9-8-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide?
N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide has a molecular weight of 318.30 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 106355007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).