4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide

C20H24BrNO2 — CID 19201486

IUPAC4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C20H24BrNO2/c1-20(2,3)15-11-12-18(17(21)14-15)24-13-7-10-19(23)22-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,22,23)
InChIKeyFEODBSOJAAPWBE-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.54
Rot. Bonds6

About 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide

4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide (PubChem CID 19201486) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide
PubChem CID19201486
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C20H24BrNO2/c1-20(2,3)15-11-12-18(17(21)14-15)24-13-7-10-19(23)22-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,22,23)
InChIKeyFEODBSOJAAPWBE-UHFFFAOYSA-N
XLogP5.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.54
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-[4-[(2-cyanoacetyl)amino]phenyl]butanamide
CID 108922519
4-(2-bromo-4-tert-butylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19201525
4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide
CID 19201575
butyl 3-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]benzoate
CID 19201838
4-(2-bromo-4-tert-butylphenoxy)-N-prop-2-enylbutanamide
CID 19201321
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
4-(2-bromo-4-tert-butylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 19202115
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202547
4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide
CID 19201294
4-(2-bromo-4-tert-butylphenoxy)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108934109
4-(2-bromo-4-tert-butylphenoxy)-N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]butanamide
CID 108923977
4-(2-bromo-4-tert-butylphenoxy)-N-pentylbutanamide
CID 19201307

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide?
The IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide (CID 19201486) is 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide.
What is the SMILES notation for 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide?
The canonical SMILES for 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide is CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide?
The InChIKey is FEODBSOJAAPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-20(2,3)15-11-12-18(17(21)14-15)24-13-7-10-19(23)22-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,22,23).
What are the key properties of 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide?
4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide has a molecular weight of 390.32 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide is sourced from PubChem (CID 19201486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).