N-acetyl-2-benzoylpent-4-enamide

C14H15NO3 — CID 177487676

IUPACN-acetyl-2-benzoylpent-4-enamide
SMILESC=CCC(C(=O)NC(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C14H15NO3/c1-3-7-12(14(18)15-10(2)16)13(17)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7H2,2H3,(H,15,16,18)
InChIKeyWRNAKDBOCVXLTP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.72
Rot. Bonds5

About N-acetyl-2-benzoylpent-4-enamide

N-acetyl-2-benzoylpent-4-enamide (PubChem CID 177487676) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-acetyl-2-benzoylpent-4-enamide.

Molecular Properties

Compound NameN-acetyl-2-benzoylpent-4-enamide
PubChem CID177487676
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-acetyl-2-benzoylpent-4-enamide
SMILESC=CCC(C(=O)NC(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C14H15NO3/c1-3-7-12(14(18)15-10(2)16)13(17)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7H2,2H3,(H,15,16,18)
InChIKeyWRNAKDBOCVXLTP-UHFFFAOYSA-N
XLogP1.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-benzoylpent-4-enamide?
The IUPAC name of N-acetyl-2-benzoylpent-4-enamide (CID 177487676) is N-acetyl-2-benzoylpent-4-enamide.
What is the SMILES notation for N-acetyl-2-benzoylpent-4-enamide?
The canonical SMILES for N-acetyl-2-benzoylpent-4-enamide is C=CCC(C(=O)NC(C)=O)C(=O)c1ccccc1.
What is the InChIKey of N-acetyl-2-benzoylpent-4-enamide?
The InChIKey is WRNAKDBOCVXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-7-12(14(18)15-10(2)16)13(17)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7H2,2H3,(H,15,16,18).
What are the key properties of N-acetyl-2-benzoylpent-4-enamide?
N-acetyl-2-benzoylpent-4-enamide has a molecular weight of 245.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-benzoylpent-4-enamide is sourced from PubChem (CID 177487676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).