4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide

C24H32BrNO2 — CID 19201575

IUPAC4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide
SMILESCCCCc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C24H32BrNO2/c1-5-6-8-18-10-13-20(14-11-18)26-23(27)9-7-16-28-22-15-12-19(17-21(22)25)24(2,3)4/h10-15,17H,5-9,16H2,1-4H3,(H,26,27)
InChIKeyHQINSWRYRDNWRL-UHFFFAOYSA-N
MW446.43 g/mol
LogP6.89
Rot. Bonds9

About 4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide

4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide (PubChem CID 19201575) has the molecular formula C24H32BrNO2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide
PubChem CID19201575
Molecular FormulaC24H32BrNO2
Molecular Weight446.43 g/mol
Exact Mass445.16
IUPAC Name4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide
SMILESCCCCc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C24H32BrNO2/c1-5-6-8-18-10-13-20(14-11-18)26-23(27)9-7-16-28-22-15-12-19(17-21(22)25)24(2,3)4/h10-15,17H,5-9,16H2,1-4H3,(H,26,27)
InChIKeyHQINSWRYRDNWRL-UHFFFAOYSA-N
XLogP6.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 56.89
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-(2-bromo-4-butylphenyl)butanamide
CID 53267642
4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide
CID 19201486
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
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202547
4-(2-bromo-4-tert-butylphenoxy)-N-pentylbutanamide
CID 19201307
butyl 3-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]benzoate
CID 19201838
3-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780608
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-prop-2-enylbutanamide
CID 19201321
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
4-(2-bromo-4-tert-butylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 19202115

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide (CID 19201575) is 4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide is CCCCc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1.
What is the InChIKey of 4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide?
The InChIKey is HQINSWRYRDNWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrNO2/c1-5-6-8-18-10-13-20(14-11-18)26-23(27)9-7-16-28-22-15-12-19(17-21(22)25)24(2,3)4/h10-15,17H,5-9,16H2,1-4H3,(H,26,27).
What are the key properties of 4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide?
4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide has a molecular weight of 446.43 g/mol, XLogP of 6.89, 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-tert-butylphenoxy)-N-(4-butylphenyl)butanamide is sourced from PubChem (CID 19201575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).