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

C15H28ClNO — CID 106354559

IUPACN-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
SMILESCC(C)C(CCCl)NC(=O)CCC1CCCCC1
InChIInChI=1S/C15H28ClNO/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)
InChIKeyYBMNJVMQLUQKFH-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.12
Rot. Bonds7

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

N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide (PubChem CID 106354559) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
PubChem CID106354559
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
SMILESCC(C)C(CCCl)NC(=O)CCC1CCCCC1
InChIInChI=1S/C15H28ClNO/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)
InChIKeyYBMNJVMQLUQKFH-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-chloro-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-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106355007
N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide
CID 106354818
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide
CID 73254061
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
CID 63930209
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 114305487

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide (CID 106354559) is N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide is CC(C)C(CCCl)NC(=O)CCC1CCCCC1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide?
The InChIKey is YBMNJVMQLUQKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/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-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide?
N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide has a molecular weight of 273.85 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 106354559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).