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

C18H17NO3 — CID 7284810

IUPACbenzyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H17NO3/c1-14(20)19-17(12-15-8-4-2-5-9-15)18(21)22-13-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,19,20)/b17-12-
InChIKeyPHSAYEKNKOXZKS-ATVHPVEESA-N
MW295.34 g/mol
LogP2.91
Rot. Bonds5

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

benzyl (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7284810) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is benzyl (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Namebenzyl (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7284810
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namebenzyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H17NO3/c1-14(20)19-17(12-15-8-4-2-5-9-15)18(21)22-13-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,19,20)/b17-12-
InChIKeyPHSAYEKNKOXZKS-ATVHPVEESA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.91
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 benzyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of benzyl (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7284810) is benzyl (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for benzyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for benzyl (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is PHSAYEKNKOXZKS-ATVHPVEESA-N. The full InChI is InChI=1S/C18H17NO3/c1-14(20)19-17(12-15-8-4-2-5-9-15)18(21)22-13-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,19,20)/b17-12-.
What are the key properties of benzyl (Z)-2-acetamido-3-phenylprop-2-enoate?
benzyl (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 295.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7284810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).