2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide

C17H15N3O3 — CID 7038076

IUPAC2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)COc2ccccc2C#N)c1
InChIInChI=1S/C17H15N3O3/c1-22-15-7-4-5-13(9-15)11-19-20-17(21)12-23-16-8-3-2-6-14(16)10-18/h2-9,11H,12H2,1H3,(H,20,21)/b19-11-
InChIKeyMACZWXQDCYPRIJ-ODLFYWEKSA-N
MW309.33 g/mol
LogP2.10
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 7038076) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
PubChem CID7038076
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)COc2ccccc2C#N)c1
InChIInChI=1S/C17H15N3O3/c1-22-15-7-4-5-13(9-15)11-19-20-17(21)12-23-16-8-3-2-6-14(16)10-18/h2-9,11H,12H2,1H3,(H,20,21)/b19-11-
InChIKeyMACZWXQDCYPRIJ-ODLFYWEKSA-N
XLogP2.10
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(2-ethoxyphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 2425831
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
[3-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51060419
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 5419197
2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 9467693
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3316109
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208653

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide (CID 7038076) is 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N\NC(=O)COc2ccccc2C#N)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is MACZWXQDCYPRIJ-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-22-15-7-4-5-13(9-15)11-19-20-17(21)12-23-16-8-3-2-6-14(16)10-18/h2-9,11H,12H2,1H3,(H,20,21)/b19-11-.
What are the key properties of 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 309.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 7038076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).