4-(4-propan-2-ylphenyl)but-3-enamide

C13H17NO — CID 170797717

IUPAC4-(4-propan-2-ylphenyl)but-3-enamide
SMILESCC(C)c1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C13H17NO/c1-10(2)12-8-6-11(7-9-12)4-3-5-13(14)15/h3-4,6-10H,5H2,1-2H3,(H2,14,15)
InChIKeyGZQVAQMPUSWKKQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.70
Rot. Bonds4

About 4-(4-propan-2-ylphenyl)but-3-enamide

4-(4-propan-2-ylphenyl)but-3-enamide (PubChem CID 170797717) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)but-3-enamide
PubChem CID170797717
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-(4-propan-2-ylphenyl)but-3-enamide
SMILESCC(C)c1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C13H17NO/c1-10(2)12-8-6-11(7-9-12)4-3-5-13(14)15/h3-4,6-10H,5H2,1-2H3,(H2,14,15)
InChIKeyGZQVAQMPUSWKKQ-UHFFFAOYSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-prop-1-en-2-ylphenyl)but-3-enamide
CID 170797716
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562
4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide
CID 170798906
(E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 39238179
4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
CID 170798274
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-[4-(2-cyanoacetyl)phenyl]but-3-enamide
CID 170798579
4-(4-propan-2-ylphenyl)but-3-ene-1-thiol
CID 170478133
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)but-3-enamide?
The IUPAC name of 4-(4-propan-2-ylphenyl)but-3-enamide (CID 170797717) is 4-(4-propan-2-ylphenyl)but-3-enamide.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)but-3-enamide?
The canonical SMILES for 4-(4-propan-2-ylphenyl)but-3-enamide is CC(C)c1ccc(C=CCC(N)=O)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)but-3-enamide?
The InChIKey is GZQVAQMPUSWKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)12-8-6-11(7-9-12)4-3-5-13(14)15/h3-4,6-10H,5H2,1-2H3,(H2,14,15).
What are the key properties of 4-(4-propan-2-ylphenyl)but-3-enamide?
4-(4-propan-2-ylphenyl)but-3-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)but-3-enamide is sourced from PubChem (CID 170797717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).