4-chloro-N-cyclohexyl-N-ethylbutanamide

C12H22ClNO — CID 13048749

IUPAC4-chloro-N-cyclohexyl-N-ethylbutanamide
SMILESCCN(C(=O)CCCCl)C1CCCCC1
InChIInChI=1S/C12H22ClNO/c1-2-14(12(15)9-6-10-13)11-7-4-3-5-8-11/h11H,2-10H2,1H3
InChIKeyVKCLBNXEILMXBP-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.19
Rot. Bonds5

About 4-chloro-N-cyclohexyl-N-ethylbutanamide

4-chloro-N-cyclohexyl-N-ethylbutanamide (PubChem CID 13048749) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-N-ethylbutanamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-N-ethylbutanamide
PubChem CID13048749
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name4-chloro-N-cyclohexyl-N-ethylbutanamide
SMILESCCN(C(=O)CCCCl)C1CCCCC1
InChIInChI=1S/C12H22ClNO/c1-2-14(12(15)9-6-10-13)11-7-4-3-5-8-11/h11H,2-10H2,1H3
InChIKeyVKCLBNXEILMXBP-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
N-(3-chloropropyl)-N-cyclobutylbutanamide
CID 102872148
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
N-cyclopentyl-N-ethyl-3-(ethylamino)propanamide
CID 62831926
N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-N-ethylbutanamide?
The IUPAC name of 4-chloro-N-cyclohexyl-N-ethylbutanamide (CID 13048749) is 4-chloro-N-cyclohexyl-N-ethylbutanamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-N-ethylbutanamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-N-ethylbutanamide is CCN(C(=O)CCCCl)C1CCCCC1.
What is the InChIKey of 4-chloro-N-cyclohexyl-N-ethylbutanamide?
The InChIKey is VKCLBNXEILMXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-2-14(12(15)9-6-10-13)11-7-4-3-5-8-11/h11H,2-10H2,1H3.
What are the key properties of 4-chloro-N-cyclohexyl-N-ethylbutanamide?
4-chloro-N-cyclohexyl-N-ethylbutanamide has a molecular weight of 231.77 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-N-ethylbutanamide is sourced from PubChem (CID 13048749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).