phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate

C19H17NO4 — CID 7284875

IUPACphenacyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-14(21)20-17(12-15-8-4-2-5-9-15)19(23)24-13-18(22)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,20,21)/b17-12-
InChIKeyYGGZNCISJNAALW-ATVHPVEESA-N
MW323.35 g/mol
LogP2.59
Rot. Bonds6

About phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate

phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7284875) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Namephenacyl (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7284875
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namephenacyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-14(21)20-17(12-15-8-4-2-5-9-15)19(23)24-13-18(22)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,20,21)/b17-12-
InChIKeyYGGZNCISJNAALW-ATVHPVEESA-N
XLogP2.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7284875) is phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is YGGZNCISJNAALW-ATVHPVEESA-N. The full InChI is InChI=1S/C19H17NO4/c1-14(21)20-17(12-15-8-4-2-5-9-15)19(23)24-13-18(22)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,20,21)/b17-12-.
What are the key properties of phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate?
phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 323.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7284875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).