2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide

C21H19N3O2 — CID 6261617

IUPAC2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
SMILESCC(/C=C/C=C/c1ccccc1)=N/NC(=O)COc1ccccc1C#N
InChIInChI=1S/C21H19N3O2/c1-17(9-5-6-12-18-10-3-2-4-11-18)23-24-21(25)16-26-20-14-8-7-13-19(20)15-22/h2-14H,16H2,1H3,(H,24,25)/b9-5+,12-6+,23-17-
InChIKeyVJPYVJBTKSHGRK-QMYUNNIPSA-N
MW345.40 g/mol
LogP3.70
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide

2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide (PubChem CID 6261617) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
PubChem CID6261617
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
SMILESCC(/C=C/C=C/c1ccccc1)=N/NC(=O)COc1ccccc1C#N
InChIInChI=1S/C21H19N3O2/c1-17(9-5-6-12-18-10-3-2-4-11-18)23-24-21(25)16-26-20-14-8-7-13-19(20)15-22/h2-14H,16H2,1H3,(H,24,25)/b9-5+,12-6+,23-17-
InChIKeyVJPYVJBTKSHGRK-QMYUNNIPSA-N
XLogP3.70
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 766684
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375
2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2847577
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2835475
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
2-(2-cyanophenoxy)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 75407306
2-(2-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 171980830
2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
CID 9467595
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
CID 9467627

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide (CID 6261617) is 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide is CC(/C=C/C=C/c1ccccc1)=N/NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The InChIKey is VJPYVJBTKSHGRK-QMYUNNIPSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-17(9-5-6-12-18-10-3-2-4-11-18)23-24-21(25)16-26-20-14-8-7-13-19(20)15-22/h2-14H,16H2,1H3,(H,24,25)/b9-5+,12-6+,23-17-.
What are the key properties of 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide is sourced from PubChem (CID 6261617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).