(E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid

C17H15NO4 — CID 702925

IUPAC(E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C17H15NO4/c1-22-15-10-6-5-9-13(15)11-14(17(20)21)18-16(19)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)(H,20,21)/b14-11+
InChIKeyUYBMXDQWZICTQY-SDNWHVSQSA-N
MW297.31 g/mol
LogP2.55
Rot. Bonds5

About (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid

(E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid (PubChem CID 702925) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid
PubChem CID702925
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C17H15NO4/c1-22-15-10-6-5-9-13(15)11-14(17(20)21)18-16(19)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)(H,20,21)/b14-11+
InChIKeyUYBMXDQWZICTQY-SDNWHVSQSA-N
XLogP2.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid (CID 702925) is (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid is COc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is UYBMXDQWZICTQY-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H15NO4/c1-22-15-10-6-5-9-13(15)11-14(17(20)21)18-16(19)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)(H,20,21)/b14-11+.
What are the key properties of (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid?
(E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid has a molecular weight of 297.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 702925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).