2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide

C19H19N3O5 — CID 9467693

IUPAC2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccccc2C#N)c(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-24-16-9-8-14(18(25-2)19(16)26-3)11-21-22-17(23)12-27-15-7-5-4-6-13(15)10-20/h4-9,11H,12H2,1-3H3,(H,22,23)/b21-11-
InChIKeyPFYBXUSXCSPRHE-NHDPSOOVSA-N
MW369.38 g/mol
LogP2.11
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 9467693) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID9467693
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccccc2C#N)c(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-24-16-9-8-14(18(25-2)19(16)26-3)11-21-22-17(23)12-27-15-7-5-4-6-13(15)10-20/h4-9,11H,12H2,1-3H3,(H,22,23)/b21-11-
InChIKeyPFYBXUSXCSPRHE-NHDPSOOVSA-N
XLogP2.11
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide
CID 831295
2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863
2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 7038076
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide (CID 9467693) is 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N\NC(=O)COc2ccccc2C#N)c(OC)c1OC.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is PFYBXUSXCSPRHE-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-24-16-9-8-14(18(25-2)19(16)26-3)11-21-22-17(23)12-27-15-7-5-4-6-13(15)10-20/h4-9,11H,12H2,1-3H3,(H,22,23)/b21-11-.
What are the key properties of 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 369.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 9467693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).