2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide

C17H15N3O4 — CID 135680240

IUPAC2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C#N)c1ccc(O)cc1O
InChIInChI=1S/C17H15N3O4/c1-11(14-7-6-13(21)8-15(14)22)19-20-17(23)10-24-16-5-3-2-4-12(16)9-18/h2-8,21-22H,10H2,1H3,(H,20,23)/b19-11+
InChIKeyFOTDRFNNGCEHTO-YBFXNURJSA-N
MW325.32 g/mol
LogP1.89
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135680240) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
PubChem CID135680240
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C#N)c1ccc(O)cc1O
InChIInChI=1S/C17H15N3O4/c1-11(14-7-6-13(21)8-15(14)22)19-20-17(23)10-24-16-5-3-2-4-12(16)9-18/h2-8,21-22H,10H2,1H3,(H,20,23)/b19-11+
InChIKeyFOTDRFNNGCEHTO-YBFXNURJSA-N
XLogP1.89
TPSA114.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 766684
2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
CID 135576128
2-(2-cyanophenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 9467613
2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 9467669
2-(2-cyanophenoxy)-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]acetamide
CID 9467525
2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
CID 9467595
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135569434
2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide
CID 135571814
2-(2,5-dimethylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3303808
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4155811
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide (CID 135680240) is 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccccc1C#N)c1ccc(O)cc1O.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is FOTDRFNNGCEHTO-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-11(14-7-6-13(21)8-15(14)22)19-20-17(23)10-24-16-5-3-2-4-12(16)9-18/h2-8,21-22H,10H2,1H3,(H,20,23)/b19-11+.
What are the key properties of 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 325.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135680240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).