4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide

C16H24BrNO2 — CID 19201308

IUPAC4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCOc1ccc(C)cc1Br
InChIInChI=1S/C16H24BrNO2/c1-3-4-5-10-18-16(19)7-6-11-20-15-9-8-13(2)12-14(15)17/h8-9,12H,3-7,10-11H2,1-2H3,(H,18,19)
InChIKeyKAEVVURIGJTSGX-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.22
Rot. Bonds9

About 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide

4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide (PubChem CID 19201308) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide
PubChem CID19201308
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCOc1ccc(C)cc1Br
InChIInChI=1S/C16H24BrNO2/c1-3-4-5-10-18-16(19)7-6-11-20-15-9-8-13(2)12-14(15)17/h8-9,12H,3-7,10-11H2,1-2H3,(H,18,19)
InChIKeyKAEVVURIGJTSGX-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.22
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-tert-butylphenoxy)-N-pentylbutanamide
CID 19201307
4-[3-(2-bromo-4-methylphenoxy)propanoylamino]butanamide
CID 56820513
3-(2-bromo-4-methylphenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119503723
4-(2-bromo-4-methylphenoxy)-N-butylbutan-1-amine;oxalic acid
CID 2923122
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
N-[2-(2-bromo-4-methylphenoxy)ethyl]acetamide
CID 3822965
4-(2-bromo-4-methylphenoxy)-N-(4-iodophenyl)butanamide
CID 19202098
4-(2-bromo-4-methylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19202635
propyl 4-[4-(2-bromo-4-methylphenoxy)butanoylamino]benzoate
CID 19201851
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-(2-bromo-4-methylphenoxy)butanamide
CID 19208092

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide (CID 19201308) is 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide is CCCCCNC(=O)CCCOc1ccc(C)cc1Br.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide?
The InChIKey is KAEVVURIGJTSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-4-5-10-18-16(19)7-6-11-20-15-9-8-13(2)12-14(15)17/h8-9,12H,3-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide?
4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide has a molecular weight of 342.28 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide is sourced from PubChem (CID 19201308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).