2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide

C22H25N3O3 — CID 2431577

IUPAC2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCOc1ccc(C=NNC(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-3-4-5-14-27-20-12-8-19(9-13-20)16-24-25-22(26)17-28-21-10-6-18(15-23)7-11-21/h6-13,16H,2-5,14,17H2,1H3,(H,25,26)
InChIKeyWLWHEFOFALUEID-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.05
Rot. Bonds11

About 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide

2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide (PubChem CID 2431577) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
PubChem CID2431577
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCOc1ccc(C=NNC(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-3-4-5-14-27-20-12-8-19(9-13-20)16-24-25-22(26)17-28-21-10-6-18(15-23)7-11-21/h6-13,16H,2-5,14,17H2,1H3,(H,25,26)
InChIKeyWLWHEFOFALUEID-UHFFFAOYSA-N
XLogP4.05
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19190689
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide (CID 2431577) is 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide is CCCCCCOc1ccc(C=NNC(=O)COc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide?
The InChIKey is WLWHEFOFALUEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-3-4-5-14-27-20-12-8-19(9-13-20)16-24-25-22(26)17-28-21-10-6-18(15-23)7-11-21/h6-13,16H,2-5,14,17H2,1H3,(H,25,26).
What are the key properties of 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide?
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide has a molecular weight of 379.46 g/mol, XLogP of 4.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 2431577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).