4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide

C24H36BrNO2 — CID 19201343

IUPAC4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide
SMILESCCc1ccc(OCCCC(=O)N(C2CCCCC2)C2CCCCC2)c(Br)c1
InChIInChI=1S/C24H36BrNO2/c1-2-19-15-16-23(22(25)18-19)28-17-9-14-24(27)26(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h15-16,18,20-21H,2-14,17H2,1H3
InChIKeyMBBWALBWTPBVDO-UHFFFAOYSA-N
MW450.46 g/mol
LogP6.66
Rot. Bonds8

About 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide

4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide (PubChem CID 19201343) has the molecular formula C24H36BrNO2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide.

Molecular Properties

Compound Name4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide
PubChem CID19201343
Molecular FormulaC24H36BrNO2
Molecular Weight450.46 g/mol
Exact Mass449.19
IUPAC Name4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide
SMILESCCc1ccc(OCCCC(=O)N(C2CCCCC2)C2CCCCC2)c(Br)c1
InChIInChI=1S/C24H36BrNO2/c1-2-19-15-16-23(22(25)18-19)28-17-9-14-24(27)26(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h15-16,18,20-21H,2-14,17H2,1H3
InChIKeyMBBWALBWTPBVDO-UHFFFAOYSA-N
XLogP6.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 56.66
H-Bond Donors ≤ 50
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-cyclohexylbutanamide
CID 19201332
4-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 63046064
2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
CID 894150
3-bromo-N-cyclohexyl-4-hexoxy-N-methylbenzamide
CID 4959507
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
CID 56829684
N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide
CID 78853312
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide
CID 19208224
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-ethoxyphenyl)methylideneamino]butanamide
CID 19208210
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine
CID 60687002
N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide
CID 19208191

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide?
The IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide (CID 19201343) is 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide.
What is the SMILES notation for 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide?
The canonical SMILES for 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide is CCc1ccc(OCCCC(=O)N(C2CCCCC2)C2CCCCC2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide?
The InChIKey is MBBWALBWTPBVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36BrNO2/c1-2-19-15-16-23(22(25)18-19)28-17-9-14-24(27)26(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h15-16,18,20-21H,2-14,17H2,1H3.
What are the key properties of 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide?
4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide has a molecular weight of 450.46 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-ethylphenoxy)-N,N-dicyclohexylbutanamide is sourced from PubChem (CID 19201343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).