2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide

C19H19N3O4 — CID 9316623

IUPAC2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(OC)c(/C(C)=N\NC(=O)COc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H19N3O4/c1-13(17-10-16(24-2)8-9-18(17)25-3)21-22-19(23)12-26-15-6-4-14(11-20)5-7-15/h4-10H,12H2,1-3H3,(H,22,23)/b21-13-
InChIKeyZRCORDYNHGDLRZ-BKUYFWCQSA-N
MW353.38 g/mol
LogP2.49
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide

2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide (PubChem CID 9316623) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide
PubChem CID9316623
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(OC)c(/C(C)=N\NC(=O)COc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H19N3O4/c1-13(17-10-16(24-2)8-9-18(17)25-3)21-22-19(23)12-26-15-6-4-14(11-20)5-7-15/h4-10H,12H2,1-3H3,(H,22,23)/b21-13-
InChIKeyZRCORDYNHGDLRZ-BKUYFWCQSA-N
XLogP2.49
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(4-cyanophenoxy)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316574
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]benzonitrile
CID 7627302
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide
CID 9316609
4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile
CID 7627777
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202
N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315965
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
CID 3686210
2-(4-cyanophenoxy)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 9256860
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
CID 4082940

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide (CID 9316623) is 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide is COc1ccc(OC)c(/C(C)=N\NC(=O)COc2ccc(C#N)cc2)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide?
The InChIKey is ZRCORDYNHGDLRZ-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13(17-10-16(24-2)8-9-18(17)25-3)21-22-19(23)12-26-15-6-4-14(11-20)5-7-15/h4-10H,12H2,1-3H3,(H,22,23)/b21-13-.
What are the key properties of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide?
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9316623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).