(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate

C19H17NO4 — CID 7849819

IUPAC(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate
SMILESCc1ccccc1/C=C/C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-14-7-5-6-8-15(14)11-12-18(22)24-13-17(21)20-19(23)16-9-3-2-4-10-16/h2-12H,13H2,1H3,(H,20,21,23)/b12-11+
InChIKeyYWKYHLNGJAMVLR-VAWYXSNFSA-N
MW323.35 g/mol
LogP2.51
Rot. Bonds5

About (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate

(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate (PubChem CID 7849819) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate
PubChem CID7849819
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate
SMILESCc1ccccc1/C=C/C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-14-7-5-6-8-15(14)11-12-18(22)24-13-17(21)20-19(23)16-9-3-2-4-10-16/h2-12H,13H2,1H3,(H,20,21,23)/b12-11+
InChIKeyYWKYHLNGJAMVLR-VAWYXSNFSA-N
XLogP2.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.51
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

[2-(carbamoylamino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849728
(2-benzamido-2-oxoethyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 42969620
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 8936389
(2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7867816
(2-benzamido-2-oxoethyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 42984269
(2-benzamido-2-oxoethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7653761
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849552
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849615
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849617
[2-(3-methylanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7850073
benzyl (E)-3-(2-methylphenyl)prop-2-enoate
CID 16742105
(2-benzamido-2-oxoethyl) (E)-3-(3,4-diethoxyphenyl)prop-2-enoate
CID 7753360

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate?
The IUPAC name of (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate (CID 7849819) is (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate is Cc1ccccc1/C=C/C(=O)OCC(=O)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate?
The InChIKey is YWKYHLNGJAMVLR-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17NO4/c1-14-7-5-6-8-15(14)11-12-18(22)24-13-17(21)20-19(23)16-9-3-2-4-10-16/h2-12H,13H2,1H3,(H,20,21,23)/b12-11+.
What are the key properties of (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate?
(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate has a molecular weight of 323.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate is sourced from PubChem (CID 7849819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).