4-chloro-N-(4-ethylcyclohexyl)butanamide

C12H22ClNO — CID 63308231

IUPAC4-chloro-N-(4-ethylcyclohexyl)butanamide
SMILESCCC1CCC(NC(=O)CCCCl)CC1
InChIInChI=1S/C12H22ClNO/c1-2-10-5-7-11(8-6-10)14-12(15)4-3-9-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyJTWREIWVSOKCHU-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.09
Rot. Bonds5

About 4-chloro-N-(4-ethylcyclohexyl)butanamide

4-chloro-N-(4-ethylcyclohexyl)butanamide (PubChem CID 63308231) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethylcyclohexyl)butanamide
PubChem CID63308231
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name4-chloro-N-(4-ethylcyclohexyl)butanamide
SMILESCCC1CCC(NC(=O)CCCCl)CC1
InChIInChI=1S/C12H22ClNO/c1-2-10-5-7-11(8-6-10)14-12(15)4-3-9-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyJTWREIWVSOKCHU-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.09
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

4-chloro-N-cyclopropylbutanamide
CID 5152347
4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225
5-chloro-N-cyclooctylpentanamide
CID 28733608
4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
CID 120560101
N,N'-dicyclopropyldecanediamide
CID 4668836
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
CID 106707162
2-(4-aminocyclohexyl)-N-(4-ethylcyclohexyl)acetamide
CID 62782919
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
CID 64743274
N,N'-dicyclopropylbutanediamide
CID 5225156
3-chloro-N-cycloheptylpropanamide
CID 5152151

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)butanamide?
The IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)butanamide (CID 63308231) is 4-chloro-N-(4-ethylcyclohexyl)butanamide.
What is the SMILES notation for 4-chloro-N-(4-ethylcyclohexyl)butanamide?
The canonical SMILES for 4-chloro-N-(4-ethylcyclohexyl)butanamide is CCC1CCC(NC(=O)CCCCl)CC1.
What is the InChIKey of 4-chloro-N-(4-ethylcyclohexyl)butanamide?
The InChIKey is JTWREIWVSOKCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-2-10-5-7-11(8-6-10)14-12(15)4-3-9-13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-chloro-N-(4-ethylcyclohexyl)butanamide?
4-chloro-N-(4-ethylcyclohexyl)butanamide has a molecular weight of 231.77 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylcyclohexyl)butanamide is sourced from PubChem (CID 63308231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).