(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide

C20H18N2O2 — CID 2351530

IUPAC(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide
SMILESCOc1ccccc1/C=C/C=C(/C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C20H18N2O2/c1-24-19-13-6-5-10-17(19)11-7-12-18(14-21)20(23)22-15-16-8-3-2-4-9-16/h2-13H,15H2,1H3,(H,22,23)/b11-7+,18-12-
InChIKeyGGNCBOUKLCEMBO-VVJRFBLUSA-N
MW318.38 g/mol
LogP3.47
Rot. Bonds6

About (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide

(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide (PubChem CID 2351530) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide
PubChem CID2351530
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide
SMILESCOc1ccccc1/C=C/C=C(/C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C20H18N2O2/c1-24-19-13-6-5-10-17(19)11-7-12-18(14-21)20(23)22-15-16-8-3-2-4-9-16/h2-13H,15H2,1H3,(H,22,23)/b11-7+,18-12-
InChIKeyGGNCBOUKLCEMBO-VVJRFBLUSA-N
XLogP3.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.47
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
(Z)-N-benzyl-2-cyano-3-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 124570330
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(E)-N-benzyl-2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 35635544
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 2351623
(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19206673
(2E,4E)-N-benzyl-5-[3,4-bis[[deuterio(methyl)boranyl]sulfanyloxy]phenyl]-2-cyanopenta-2,4-dienamide
CID 59072703
N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 4520205
(Z)-2-cyano-3-(2-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126244030
2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide
CID 3994867
(2E,4E)-2-cyano-N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
CID 11696025

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide (CID 2351530) is (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide is COc1ccccc1/C=C/C=C(/C#N)C(=O)NCc1ccccc1.
What is the InChIKey of (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide?
The InChIKey is GGNCBOUKLCEMBO-VVJRFBLUSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-19-13-6-5-10-17(19)11-7-12-18(14-21)20(23)22-15-16-8-3-2-4-9-16/h2-13H,15H2,1H3,(H,22,23)/b11-7+,18-12-.
What are the key properties of (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide?
(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide has a molecular weight of 318.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide is sourced from PubChem (CID 2351530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).