ethyl (E)-3-anilino-3-phenylprop-2-enoate

C17H17NO2 — CID 5475010

IUPACethyl (E)-3-anilino-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-20-17(19)13-16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-13,18H,2H2,1H3/b16-13+
InChIKeyNYXATQKDISMJBK-DTQAZKPQSA-N
MW267.33 g/mol
LogP3.70
Rot. Bonds5

About ethyl (E)-3-anilino-3-phenylprop-2-enoate

ethyl (E)-3-anilino-3-phenylprop-2-enoate (PubChem CID 5475010) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl (E)-3-anilino-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-anilino-3-phenylprop-2-enoate
PubChem CID5475010
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nameethyl (E)-3-anilino-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-20-17(19)13-16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-13,18H,2H2,1H3/b16-13+
InChIKeyNYXATQKDISMJBK-DTQAZKPQSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
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 ethyl (E)-3-anilino-3-phenylprop-2-enoate?
The IUPAC name of ethyl (E)-3-anilino-3-phenylprop-2-enoate (CID 5475010) is ethyl (E)-3-anilino-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-anilino-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-anilino-3-phenylprop-2-enoate is CCOC(=O)/C=C(/Nc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (E)-3-anilino-3-phenylprop-2-enoate?
The InChIKey is NYXATQKDISMJBK-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-20-17(19)13-16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-13,18H,2H2,1H3/b16-13+.
What are the key properties of ethyl (E)-3-anilino-3-phenylprop-2-enoate?
ethyl (E)-3-anilino-3-phenylprop-2-enoate has a molecular weight of 267.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-anilino-3-phenylprop-2-enoate is sourced from PubChem (CID 5475010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).