(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide

C20H20N2O2 — CID 19206673

IUPAC(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-2-12-24-19-11-7-6-10-17(19)13-18(14-21)20(23)22-15-16-8-4-3-5-9-16/h3-11,13H,2,12,15H2,1H3,(H,22,23)/b18-13+
InChIKeyNRCSBMHVLPBPJZ-QGOAFFKASA-N
MW320.39 g/mol
LogP3.70
Rot. Bonds7

About (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide

(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 19206673) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID19206673
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-2-12-24-19-11-7-6-10-17(19)13-18(14-21)20(23)22-15-16-8-4-3-5-9-16/h3-11,13H,2,12,15H2,1H3,(H,22,23)/b18-13+
InChIKeyNRCSBMHVLPBPJZ-QGOAFFKASA-N
XLogP3.70
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.70
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'}

Analyze (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)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

(E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-N-benzyl-2-cyanoprop-2-enamide
CID 126061312
(Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 2351623
3-(2-butoxyphenyl)-2-cyano-N-propylprop-2-enamide
CID 3986173
(E)-N-butan-2-yl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19206765
(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
2-cyano-3-(2-propoxyphenyl)prop-2-enoate
CID 3287238
(E)-N-benzyl-2-cyano-3-[2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126268791
(E)-N-benzyl-2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 35635544
(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
CID 19206616
(E)-2-cyano-N-(3-methoxypropyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 7912298
(E)-2-cyano-3-(2-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19206748
(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 30228009

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide (CID 19206673) is (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is NRCSBMHVLPBPJZ-QGOAFFKASA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-12-24-19-11-7-6-10-17(19)13-18(14-21)20(23)22-15-16-8-4-3-5-9-16/h3-11,13H,2,12,15H2,1H3,(H,22,23)/b18-13+.
What are the key properties of (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide?
(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 320.39 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19206673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).