(Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide

C17H16N2O3 — CID 5403184

IUPAC(Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C17H16N2O3/c1-12(20)18-16(11-13-5-3-2-4-6-13)17(22)19-14-7-9-15(21)10-8-14/h2-11,21H,1H3,(H,18,20)(H,19,22)/b16-11-
InChIKeyBPYFLUVAGQDEFX-WJDWOHSUSA-N
MW296.33 g/mol
LogP2.51
Rot. Bonds4

About (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide

(Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide (PubChem CID 5403184) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
PubChem CID5403184
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C17H16N2O3/c1-12(20)18-16(11-13-5-3-2-4-6-13)17(22)19-14-7-9-15(21)10-8-14/h2-11,21H,1H3,(H,18,20)(H,19,22)/b16-11-
InChIKeyBPYFLUVAGQDEFX-WJDWOHSUSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide (CID 5403184) is (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide is CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is BPYFLUVAGQDEFX-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(20)18-16(11-13-5-3-2-4-6-13)17(22)19-14-7-9-15(21)10-8-14/h2-11,21H,1H3,(H,18,20)(H,19,22)/b16-11-.
What are the key properties of (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide?
(Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 5403184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).