(4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate

C19H19NO3 — CID 7284714

IUPAC(4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C19H19NO3/c1-14-8-10-17(11-9-14)13-23-19(22)18(20-15(2)21)12-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,20,21)/b18-12-
InChIKeyZOVKFVVVDDSYIF-PDGQHHTCSA-N
MW309.37 g/mol
LogP3.22
Rot. Bonds5

About (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate

(4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7284714) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7284714
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C19H19NO3/c1-14-8-10-17(11-9-14)13-23-19(22)18(20-15(2)21)12-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,20,21)/b18-12-
InChIKeyZOVKFVVVDDSYIF-PDGQHHTCSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.22
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 (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7284714) is (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is ZOVKFVVVDDSYIF-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14-8-10-17(11-9-14)13-23-19(22)18(20-15(2)21)12-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,20,21)/b18-12-.
What are the key properties of (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate?
(4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 309.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7284714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).