2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

C19H17N3O2 — CID 129438375

IUPAC2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESC/C(C=NNC(=O)COc1ccccc1C#N)=C/c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-15(11-16-7-3-2-4-8-16)13-21-22-19(23)14-24-18-10-6-5-9-17(18)12-20/h2-11,13H,14H2,1H3,(H,22,23)/b15-11-,21-13?
InChIKeyGBCYBSGVGDNNNL-XIMWKBLMSA-N
MW319.36 g/mol
LogP3.14
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 129438375) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID129438375
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESC/C(C=NNC(=O)COc1ccccc1C#N)=C/c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-15(11-16-7-3-2-4-8-16)13-21-22-19(23)14-24-18-10-6-5-9-17(18)12-20/h2-11,13H,14H2,1H3,(H,22,23)/b15-11-,21-13?
InChIKeyGBCYBSGVGDNNNL-XIMWKBLMSA-N
XLogP3.14
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.14
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'}

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Related Compounds

N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
CID 9467627
2-(2-methylphenoxy)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51060573
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
N-[(Z)-[(E)-2-methyl-3-[4-[(Z,3E)-2-methyl-3-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]prop-1-enyl]phenyl]prop-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
CID 21234184
2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 6261617
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
2-(2-bromo-4-nitrophenoxy)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 46502473
2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 766684
2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 7038076
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 129438375) is 2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is C/C(C=NNC(=O)COc1ccccc1C#N)=C/c1ccccc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is GBCYBSGVGDNNNL-XIMWKBLMSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-15(11-16-7-3-2-4-8-16)13-21-22-19(23)14-24-18-10-6-5-9-17(18)12-20/h2-11,13H,14H2,1H3,(H,22,23)/b15-11-,21-13?.
What are the key properties of 2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.14, 6 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)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 129438375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).