4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide

C14H19NO2 — CID 87587241

IUPAC4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide
SMILESCC(C)(C)c1cc(CC=CC(N)=O)ccc1O
InChIInChI=1S/C14H19NO2/c1-14(2,3)11-9-10(7-8-12(11)16)5-4-6-13(15)17/h4,6-9,16H,5H2,1-3H3,(H2,15,17)
InChIKeyQPUSVNRQKJCSBB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds3

About 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide

4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide (PubChem CID 87587241) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide.

Molecular Properties

Compound Name4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide
PubChem CID87587241
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide
SMILESCC(C)(C)c1cc(CC=CC(N)=O)ccc1O
InChIInChI=1S/C14H19NO2/c1-14(2,3)11-9-10(7-8-12(11)16)5-4-6-13(15)17/h4,6-9,16H,5H2,1-3H3,(H2,15,17)
InChIKeyQPUSVNRQKJCSBB-UHFFFAOYSA-N
XLogP2.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 3084638
methyl 2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-4,4-dimethylpentanoate
CID 87626930
2,2,3-tris(3-tert-butyl-4-hydroxyphenyl)propanoic acid
CID 175040042
2-tert-butyl-4-(phosphorosooxymethyl)phenol
CID 175331507
2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-3-methoxy-3-oxopropanoate
CID 23341427
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid;ethane-1,2-diol
CID 174372134
2-tert-butyl-4-pentylphenol
CID 19933254
bis(3-tert-butyl-4-hydroxyphenyl)methanone
CID 57066598
(Z)-3-[(3-tert-butyl-4-hydroxyphenyl)methyl]-2,4,4-trimethylpent-2-enoate
CID 6432878

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide?
The IUPAC name of 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide (CID 87587241) is 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide.
What is the SMILES notation for 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide?
The canonical SMILES for 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide is CC(C)(C)c1cc(CC=CC(N)=O)ccc1O.
What is the InChIKey of 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide?
The InChIKey is QPUSVNRQKJCSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)11-9-10(7-8-12(11)16)5-4-6-13(15)17/h4,6-9,16H,5H2,1-3H3,(H2,15,17).
What are the key properties of 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide?
4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide is sourced from PubChem (CID 87587241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).