2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

C26H20N6O4 — CID 42995701

IUPAC2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C/c1cccc(/C=N/NC(=O)COc2ccccc2C#N)c1
InChIInChI=1S/C26H20N6O4/c27-13-21-8-1-3-10-23(21)35-17-25(33)31-29-15-19-6-5-7-20(12-19)16-30-32-26(34)18-36-24-11-4-2-9-22(24)14-28/h1-12,15-16H,17-18H2,(H,31,33)(H,32,34)/b29-15+,30-16+
InChIKeyQQRSNGPDYIYGFS-CMNXJCJSSA-N
MW480.48 g/mol
LogP2.49
Rot. Bonds10

About 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (PubChem CID 42995701) has the molecular formula C26H20N6O4 and a molecular weight of 480.48 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
PubChem CID42995701
Molecular FormulaC26H20N6O4
Molecular Weight480.48 g/mol
Exact Mass480.15
IUPAC Name2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C/c1cccc(/C=N/NC(=O)COc2ccccc2C#N)c1
InChIInChI=1S/C26H20N6O4/c27-13-21-8-1-3-10-23(21)35-17-25(33)31-29-15-19-6-5-7-20(12-19)16-30-32-26(34)18-36-24-11-4-2-9-22(24)14-28/h1-12,15-16H,17-18H2,(H,31,33)(H,32,34)/b29-15+,30-16+
InChIKeyQQRSNGPDYIYGFS-CMNXJCJSSA-N
XLogP2.49
TPSA148.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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)-(3-methoxyphenyl)methylideneamino]acetamide
CID 7038076
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3316109
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
CID 9467627
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375
2-(2-cyanophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 4079853

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (CID 42995701) is 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is N#Cc1ccccc1OCC(=O)N/N=C/c1cccc(/C=N/NC(=O)COc2ccccc2C#N)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The InChIKey is QQRSNGPDYIYGFS-CMNXJCJSSA-N. The full InChI is InChI=1S/C26H20N6O4/c27-13-21-8-1-3-10-23(21)35-17-25(33)31-29-15-19-6-5-7-20(12-19)16-30-32-26(34)18-36-24-11-4-2-9-22(24)14-28/h1-12,15-16H,17-18H2,(H,31,33)(H,32,34)/b29-15+,30-16+.
What are the key properties of 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide has a molecular weight of 480.48 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 42995701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).