2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

C23H19N3O3 — CID 42995743

IUPAC2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H19N3O3/c24-14-19-10-4-6-12-21(19)29-17-23(27)26-25-15-20-11-5-7-13-22(20)28-16-18-8-2-1-3-9-18/h1-13,15H,16-17H2,(H,26,27)/b25-15+
InChIKeyOLGMMVJDHMUOKT-MFKUBSTISA-N
MW385.42 g/mol
LogP3.67
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 42995743) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID42995743
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H19N3O3/c24-14-19-10-4-6-12-21(19)29-17-23(27)26-25-15-20-11-5-7-13-22(20)28-16-18-8-2-1-3-9-18/h1-13,15H,16-17H2,(H,26,27)/b25-15+
InChIKeyOLGMMVJDHMUOKT-MFKUBSTISA-N
XLogP3.67
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.67
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

N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
2-naphthalen-2-yloxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6041934
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4649867
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4076296
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 9467693
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 42995743) is 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is N#Cc1ccccc1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is OLGMMVJDHMUOKT-MFKUBSTISA-N. The full InChI is InChI=1S/C23H19N3O3/c24-14-19-10-4-6-12-21(19)29-17-23(27)26-25-15-20-11-5-7-13-22(20)28-16-18-8-2-1-3-9-18/h1-13,15H,16-17H2,(H,26,27)/b25-15+.
What are the key properties of 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 42995743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).