4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide

C18H26BrNO2 — CID 19201332

IUPAC4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide
SMILESCCc1ccc(OCCCC(=O)NC2CCCCC2)c(Br)c1
InChIInChI=1S/C18H26BrNO2/c1-2-14-10-11-17(16(19)13-14)22-12-6-9-18(21)20-15-7-4-3-5-8-15/h10-11,13,15H,2-9,12H2,1H3,(H,20,21)
InChIKeyLAZOMMQOOOXTKT-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.62
Rot. Bonds7

About 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide

4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide (PubChem CID 19201332) has the molecular formula C18H26BrNO2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide.

Molecular Properties

Compound Name4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide
PubChem CID19201332
Molecular FormulaC18H26BrNO2
Molecular Weight368.32 g/mol
Exact Mass367.11
IUPAC Name4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide
SMILESCCc1ccc(OCCCC(=O)NC2CCCCC2)c(Br)c1
InChIInChI=1S/C18H26BrNO2/c1-2-14-10-11-17(16(19)13-14)22-12-6-9-18(21)20-15-7-4-3-5-8-15/h10-11,13,15H,2-9,12H2,1H3,(H,20,21)
InChIKeyLAZOMMQOOOXTKT-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide
CID 19201343
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
N-(1-acetylpiperidin-4-yl)-4-(2-bromo-4-tert-butylphenoxy)butanamide
CID 108561147
3-bromo-N-cyclohexyl-4-propoxybenzamide
CID 17342733
4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201600
4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide
CID 19202057
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide
CID 19208191
4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 19201982
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclododecylbutanamide
CID 19205855

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide?
The IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide (CID 19201332) is 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide.
What is the SMILES notation for 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide?
The canonical SMILES for 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide is CCc1ccc(OCCCC(=O)NC2CCCCC2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide?
The InChIKey is LAZOMMQOOOXTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO2/c1-2-14-10-11-17(16(19)13-14)22-12-6-9-18(21)20-15-7-4-3-5-8-15/h10-11,13,15H,2-9,12H2,1H3,(H,20,21).
What are the key properties of 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide?
4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide has a molecular weight of 368.32 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide is sourced from PubChem (CID 19201332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).