ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate

C20H19NO3 — CID 5338179

IUPACethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate
SMILESCCOC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-2-24-20(23)18(15-9-12-16-10-5-3-6-11-16)21-19(22)17-13-7-4-8-14-17/h3-15H,2H2,1H3,(H,21,22)/b12-9+,18-15+
InChIKeyLQUHLWOIFJBMDX-FPIZNTTDSA-N
MW321.38 g/mol
LogP3.58
Rot. Bonds6

About ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate

ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate (PubChem CID 5338179) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate
PubChem CID5338179
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate
SMILESCCOC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-2-24-20(23)18(15-9-12-16-10-5-3-6-11-16)21-19(22)17-13-7-4-8-14-17/h3-15H,2H2,1H3,(H,21,22)/b12-9+,18-15+
InChIKeyLQUHLWOIFJBMDX-FPIZNTTDSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate (CID 5338179) is ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate is CCOC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate?
The InChIKey is LQUHLWOIFJBMDX-FPIZNTTDSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-24-20(23)18(15-9-12-16-10-5-3-6-11-16)21-19(22)17-13-7-4-8-14-17/h3-15H,2H2,1H3,(H,21,22)/b12-9+,18-15+.
What are the key properties of ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate?
ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate has a molecular weight of 321.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 5338179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).