(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide

C20H17N3O2 — CID 30228009

IUPAC(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESN#CCOc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H17N3O2/c21-11-13-25-19-9-5-4-8-17(19)14-18(15-22)20(24)23-12-10-16-6-2-1-3-7-16/h1-9,14H,10,12-13H2,(H,23,24)/b18-14+
InChIKeyPJSHVSITVRENQZ-NBVRZTHBSA-N
MW331.38 g/mol
LogP2.85
Rot. Bonds7

About (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide

(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide (PubChem CID 30228009) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide
PubChem CID30228009
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESN#CCOc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H17N3O2/c21-11-13-25-19-9-5-4-8-17(19)14-18(15-22)20(24)23-12-10-16-6-2-1-3-7-16/h1-9,14H,10,12-13H2,(H,23,24)/b18-14+
InChIKeyPJSHVSITVRENQZ-NBVRZTHBSA-N
XLogP2.85
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-cyano-3-(2-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126244030
(E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 8862977
2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 78650220
(E)-2-cyano-N-(3-methoxypropyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 7912298
(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19206673
3-(2-butoxyphenyl)-2-cyano-N-propylprop-2-enamide
CID 3986173
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 8862937
2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 842168
(E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-N-benzyl-2-cyanoprop-2-enamide
CID 126061312
(Z)-3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 60593922
(E)-3-[2-[4-[2-[(E)-2-carboxy-2-cyanoethenyl]phenoxy]butoxy]phenyl]-2-cyanoprop-2-enoic acid
CID 102013525
(Z)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 19183882

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide (CID 30228009) is (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide is N#CCOc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1.
What is the InChIKey of (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is PJSHVSITVRENQZ-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-11-13-25-19-9-5-4-8-17(19)14-18(15-22)20(24)23-12-10-16-6-2-1-3-7-16/h1-9,14H,10,12-13H2,(H,23,24)/b18-14+.
What are the key properties of (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide?
(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 331.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 30228009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).