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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Related Compounds

(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione
CID 101163136
[(1Z)-3-benzoyl-1-(furan-2-yl)hexa-1,5-dien-2-yl] acetate
CID 102390026
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide
CID 5088249
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
methyl 2-(1-phenylethylideneamino)pent-4-enoate
CID 10082620
N-(1-methoxybut-3-enyl)benzamide
CID 3700027
methoxycarbonyl 2-phenacylpent-4-enoate
CID 10731156
methyl 2-(hydroxymethyl)-3-oxo-3-phenylpropanoate
CID 54180026
ethane;methyl 2-benzoyl-4-oxopentanoate
CID 91281655
1-phenyl-2-[(Z)-2-phenylbut-2-enyl]butane-1,3-dione
CID 101458406

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).