ethyl 3-benzamidopent-4-enoate

C14H17NO3 — CID 10514640

IUPACethyl 3-benzamidopent-4-enoate
SMILESC=CC(CC(=O)OCC)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-3-12(10-13(16)18-4-2)15-14(17)11-8-6-5-7-9-11/h3,5-9,12H,1,4,10H2,2H3,(H,15,17)
InChIKeyQJOHGHVMYLHACO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.92
Rot. Bonds6

About ethyl 3-benzamidopent-4-enoate

ethyl 3-benzamidopent-4-enoate (PubChem CID 10514640) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 3-benzamidopent-4-enoate.

Molecular Properties

Compound Nameethyl 3-benzamidopent-4-enoate
PubChem CID10514640
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 3-benzamidopent-4-enoate
SMILESC=CC(CC(=O)OCC)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-3-12(10-13(16)18-4-2)15-14(17)11-8-6-5-7-9-11/h3,5-9,12H,1,4,10H2,2H3,(H,15,17)
InChIKeyQJOHGHVMYLHACO-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
CID 19365215
ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate
CID 135022569
prop-2-enyl (3S)-3-benzamido-4-methylpentanoate
CID 101384499
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540
N-(1-aminoprop-2-enyl)benzamide
CID 69046323
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
ethyl (3S)-3-benzamido-4-[bis(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 102437342
prop-2-enyl 2-benzamidopropanoate
CID 2910482
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
diethyl 3,4-diacetyl-2,5-dibenzamidohex-3-enedioate
CID 138392491
ethyl 2-benzamido-4-methylpentanoate
CID 12773376

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzamidopent-4-enoate?
The IUPAC name of ethyl 3-benzamidopent-4-enoate (CID 10514640) is ethyl 3-benzamidopent-4-enoate.
What is the SMILES notation for ethyl 3-benzamidopent-4-enoate?
The canonical SMILES for ethyl 3-benzamidopent-4-enoate is C=CC(CC(=O)OCC)NC(=O)c1ccccc1.
What is the InChIKey of ethyl 3-benzamidopent-4-enoate?
The InChIKey is QJOHGHVMYLHACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-12(10-13(16)18-4-2)15-14(17)11-8-6-5-7-9-11/h3,5-9,12H,1,4,10H2,2H3,(H,15,17).
What are the key properties of ethyl 3-benzamidopent-4-enoate?
ethyl 3-benzamidopent-4-enoate has a molecular weight of 247.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzamidopent-4-enoate is sourced from PubChem (CID 10514640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).