methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate

C23H20N2O3 — CID 66987424

IUPACmethyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate
SMILESCOC(=O)/C(=C\N(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H20N2O3/c1-28-23(27)21(24-22(26)18-11-5-2-6-12-18)17-25(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,24,26)/b21-17+
InChIKeyHSIJDJBGDOHTKX-HEHNFIMWSA-N
MW372.42 g/mol
LogP4.27
Rot. Bonds6

About methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate

methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate (PubChem CID 66987424) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate
PubChem CID66987424
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Namemethyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate
SMILESCOC(=O)/C(=C\N(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H20N2O3/c1-28-23(27)21(24-22(26)18-11-5-2-6-12-18)17-25(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,24,26)/b21-17+
InChIKeyHSIJDJBGDOHTKX-HEHNFIMWSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.27
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

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CID 71400450
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methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate
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methyl (Z)-2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13180771
methyl 2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
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ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824
4-fluoroaniline;methyl (E)-2-benzamido-3-(dimethylamino)prop-2-enoate;methyl (E)-2-benzamido-3-(4-fluoroanilino)prop-2-enoate
CID 158850152
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CID 12030798

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate?
The IUPAC name of methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate (CID 66987424) is methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate?
The canonical SMILES for methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate is COC(=O)/C(=C\N(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate?
The InChIKey is HSIJDJBGDOHTKX-HEHNFIMWSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-23(27)21(24-22(26)18-11-5-2-6-12-18)17-25(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,24,26)/b21-17+.
What are the key properties of methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate?
methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate has a molecular weight of 372.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate is sourced from PubChem (CID 66987424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).