N-(3-acetylphenyl)-3-methylbut-2-enamide

C13H15NO2 — CID 731848

IUPACN-(3-acetylphenyl)-3-methylbut-2-enamide
SMILESCC(=O)c1cccc(NC(=O)C=C(C)C)c1
InChIInChI=1S/C13H15NO2/c1-9(2)7-13(16)14-12-6-4-5-11(8-12)10(3)15/h4-8H,1-3H3,(H,14,16)
InChIKeyXUIIWXZCZHITLR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.79
Rot. Bonds3

About N-(3-acetylphenyl)-3-methylbut-2-enamide

N-(3-acetylphenyl)-3-methylbut-2-enamide (PubChem CID 731848) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-methylbut-2-enamide
PubChem CID731848
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(3-acetylphenyl)-3-methylbut-2-enamide
SMILESCC(=O)c1cccc(NC(=O)C=C(C)C)c1
InChIInChI=1S/C13H15NO2/c1-9(2)7-13(16)14-12-6-4-5-11(8-12)10(3)15/h4-8H,1-3H3,(H,14,16)
InChIKeyXUIIWXZCZHITLR-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(3-acetylphenyl)-3-methylbut-2-enamide (CID 731848) is N-(3-acetylphenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3-acetylphenyl)-3-methylbut-2-enamide is CC(=O)c1cccc(NC(=O)C=C(C)C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-methylbut-2-enamide?
The InChIKey is XUIIWXZCZHITLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)7-13(16)14-12-6-4-5-11(8-12)10(3)15/h4-8H,1-3H3,(H,14,16).
What are the key properties of N-(3-acetylphenyl)-3-methylbut-2-enamide?
N-(3-acetylphenyl)-3-methylbut-2-enamide has a molecular weight of 217.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 731848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).