N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide

C14H26ClNO — CID 114305958

IUPACN-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
SMILESCC(CCCCl)NC(=O)CCC1CCCCC1
InChIInChI=1S/C14H26ClNO/c1-12(6-5-11-15)16-14(17)10-9-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyIYGIOVMIVYSIAO-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.87
Rot. Bonds7

About N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide

N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide (PubChem CID 114305958) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
PubChem CID114305958
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
SMILESCC(CCCCl)NC(=O)CCC1CCCCC1
InChIInChI=1S/C14H26ClNO/c1-12(6-5-11-15)16-14(17)10-9-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyIYGIOVMIVYSIAO-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106354559
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide
CID 73254061
N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106355007
4-cyclohexyl-N-(1-methoxypropan-2-yl)butanamide
CID 78785346
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide (CID 114305958) is N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide is CC(CCCCl)NC(=O)CCC1CCCCC1.
What is the InChIKey of N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide?
The InChIKey is IYGIOVMIVYSIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-12(6-5-11-15)16-14(17)10-9-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide?
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide has a molecular weight of 259.82 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 114305958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).