(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide

C16H18N2O2 — CID 6076664

IUPAC(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
SMILESCOCCCNC(=O)/C(C#N)=C/C=C/c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-20-12-6-11-18-16(19)15(13-17)10-5-9-14-7-3-2-4-8-14/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)/b9-5+,15-10+
InChIKeyFFKBYWRRXAQZIA-DXAKAWOZSA-N
MW270.33 g/mol
LogP2.30
Rot. Bonds7

About (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide

(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide (PubChem CID 6076664) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
PubChem CID6076664
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
SMILESCOCCCNC(=O)/C(C#N)=C/C=C/c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-20-12-6-11-18-16(19)15(13-17)10-5-9-14-7-3-2-4-8-14/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)/b9-5+,15-10+
InChIKeyFFKBYWRRXAQZIA-DXAKAWOZSA-N
XLogP2.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

(2Z,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
CID 2343498
(2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane
CID 143111852
(2E,4E)-2-cyano-5-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide
CID 10157333
2-cyano-N-(3-imidazol-1-ylpropyl)-5-phenylpenta-2,4-dienamide
CID 3476582
2-cyano-N-(3-methoxypropyl)-3-(4-methylphenyl)prop-2-enamide
CID 4549023
(E)-2-cyano-3-(4-cyanophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6214109
(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
CID 6214104
3-(4-tert-butylphenyl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 3749505
(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide
CID 108836709
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836605
(E)-2-cyano-3-(6-methoxynaphthalen-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6214670
(2E,4E)-2-cyano-5-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide
CID 11595687

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide (CID 6076664) is (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide is COCCCNC(=O)/C(C#N)=C/C=C/c1ccccc1.
What is the InChIKey of (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide?
The InChIKey is FFKBYWRRXAQZIA-DXAKAWOZSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-12-6-11-18-16(19)15(13-17)10-5-9-14-7-3-2-4-8-14/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)/b9-5+,15-10+.
What are the key properties of (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide?
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide has a molecular weight of 270.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 6076664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).