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

C18H28BrNO2 — CID 19201294

IUPAC4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C18H28BrNO2/c1-13(2)12-20-17(21)7-6-10-22-16-9-8-14(11-15(16)19)18(3,4)5/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,20,21)
InChIKeyZNYGKIHKRNWPCF-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.68
Rot. Bonds7

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

4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide (PubChem CID 19201294) has the molecular formula C18H28BrNO2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide
PubChem CID19201294
Molecular FormulaC18H28BrNO2
Molecular Weight370.33 g/mol
Exact Mass369.13
IUPAC Name4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C18H28BrNO2/c1-13(2)12-20-17(21)7-6-10-22-16-9-8-14(11-15(16)19)18(3,4)5/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,20,21)
InChIKeyZNYGKIHKRNWPCF-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.68
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-prop-2-enylbutanamide
CID 19201321
4-(2-bromo-4-tert-butylphenoxy)-N-pentylbutanamide
CID 19201307
4-(2-bromo-4-tert-butylphenoxy)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]butanamide
CID 108932581
4-(2-bromo-4-tert-butylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
CID 108572938
4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide
CID 19201486
4-(2-bromo-4-tert-butylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 108760165
4-(2-bromo-4-tert-butylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19202223
4-(2-bromo-4-tert-butylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19201525
1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
CID 4922528
4-(2-bromo-4-tert-butylphenoxy)-N-[4-[(2-cyanoacetyl)amino]phenyl]butanamide
CID 108922519
4-(2-bromo-4-tert-butylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 19202115
4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide
CID 19201575

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide (CID 19201294) is 4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1Br.
What is the InChIKey of 4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide?
The InChIKey is ZNYGKIHKRNWPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO2/c1-13(2)12-20-17(21)7-6-10-22-16-9-8-14(11-15(16)19)18(3,4)5/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,20,21).
What are the key properties of 4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide?
4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide has a molecular weight of 370.33 g/mol, XLogP of 4.68, 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-tert-butylphenoxy)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 19201294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).