[(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate

C20H19NO3 — CID 7555151

IUPAC[(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OC/C=C/C2=CC=CC=C2
InChIInChI=1S/C20H19NO3/c1-16(22)21-19(15-18-11-6-3-7-12-18)20(23)24-14-8-13-17-9-4-2-5-10-17/h2-13,15H,14H2,1H3,(H,21,22)/b13-8+,19-15-
InChIKeyIUMVOVVCMMLTJP-KGFIMHSTSA-N
MW321.40 g/mol
LogP3.70
Rot. Bonds7

About [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate

[(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7555151) has the molecular formula C20H19NO3 and a molecular weight of 321.40 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7555151
Molecular FormulaC20H19NO3
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Name[(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OC/C=C/C2=CC=CC=C2
InChIInChI=1S/C20H19NO3/c1-16(22)21-19(15-18-11-6-3-7-12-18)20(23)24-14-8-13-17-9-4-2-5-10-17/h2-13,15H,14H2,1H3,(H,21,22)/b13-8+,19-15-
InChIKeyIUMVOVVCMMLTJP-KGFIMHSTSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity469

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7555151) is [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OC/C=C/C2=CC=CC=C2.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is IUMVOVVCMMLTJP-KGFIMHSTSA-N. The full InChI is InChI=1S/C20H19NO3/c1-16(22)21-19(15-18-11-6-3-7-12-18)20(23)24-14-8-13-17-9-4-2-5-10-17/h2-13,15H,14H2,1H3,(H,21,22)/b13-8+,19-15-.
What are the key properties of [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
[(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 321.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7555151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).