2-benzamido-3-(2-methoxyphenyl)prop-2-enoate

C17H14NO4- — CID 3610354

IUPAC2-benzamido-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=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)/p-1
InChIKeyUYBMXDQWZICTQY-UHFFFAOYSA-M
MW296.30 g/mol
LogP1.22
Rot. Bonds5

About 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate

2-benzamido-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 3610354) has the molecular formula C17H14NO4- and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-benzamido-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID3610354
Molecular FormulaC17H14NO4-
Molecular Weight296.30 g/mol
Exact Mass296.09
IUPAC Name2-benzamido-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=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)/p-1
InChIKeyUYBMXDQWZICTQY-UHFFFAOYSA-M
XLogP1.22
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-(2-benzoylhydrazinyl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5336066
N-[(Z)-1-(2-methoxyphenyl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20835181
N-[(E)-3-[3-[[(E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]propylamino]-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 139228873
N-[(Z)-3-(4-methoxyanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2189845
(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
CID 2063688
N-[3-(4-iodoanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2840472
N-[(Z)-3-(3-bromoanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2056331
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
(E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid
CID 881673
N-[1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridine-4-carboxamide
CID 91023383
3-[[(Z)-2-benzamido-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 19057436

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate (CID 3610354) is 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1C=C(NC(=O)c1ccccc1)C(=O)[O-].
What is the InChIKey of 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is UYBMXDQWZICTQY-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate?
2-benzamido-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 296.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 3610354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).