(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide

C17H14N2O2 — CID 718070

IUPAC(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C17H14N2O2/c18-11-15(17(19)20)10-13-6-8-16(9-7-13)21-12-14-4-2-1-3-5-14/h1-10H,12H2,(H2,19,20)/b15-10+
InChIKeySIAMCDIHXZUXRD-XNTDXEJSSA-N
MW278.31 g/mol
LogP2.66
Rot. Bonds5

About (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide

(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 718070) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID718070
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C17H14N2O2/c18-11-15(17(19)20)10-13-6-8-16(9-7-13)21-12-14-4-2-1-3-5-14/h1-10H,12H2,(H2,19,20)/b15-10+
InChIKeySIAMCDIHXZUXRD-XNTDXEJSSA-N
XLogP2.66
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 718070) is (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide is N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is SIAMCDIHXZUXRD-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-11-15(17(19)20)10-13-6-8-16(9-7-13)21-12-14-4-2-1-3-5-14/h1-10H,12H2,(H2,19,20)/b15-10+.
What are the key properties of (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide?
(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 278.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 718070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).