2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide

C16H21N3O2 — CID 9467595

IUPAC2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
SMILESCCCC(CCC)=NNC(=O)COc1ccccc1C#N
InChIInChI=1S/C16H21N3O2/c1-3-7-14(8-4-2)18-19-16(20)12-21-15-10-6-5-9-13(15)11-17/h5-6,9-10H,3-4,7-8,12H2,1-2H3,(H,19,20)
InChIKeyXXUQMKYIKZEESY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.01
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide

2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide (PubChem CID 9467595) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
PubChem CID9467595
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
SMILESCCCC(CCC)=NNC(=O)COc1ccccc1C#N
InChIInChI=1S/C16H21N3O2/c1-3-7-14(8-4-2)18-19-16(20)12-21-15-10-6-5-9-13(15)11-17/h5-6,9-10H,3-4,7-8,12H2,1-2H3,(H,19,20)
InChIKeyXXUQMKYIKZEESY-UHFFFAOYSA-N
XLogP3.01
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-phenylethylideneamino)acetamide
CID 766684
2-(2-cyanophenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 9467613
2-(2-cyanophenoxy)-N-(fluoren-9-ylideneamino)acetamide
CID 9467609
2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
CID 135680240
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 6261617
2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 9467669
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 9467608
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-(heptan-4-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4050988

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide (CID 9467595) is 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide is CCCC(CCC)=NNC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide?
The InChIKey is XXUQMKYIKZEESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-7-14(8-4-2)18-19-16(20)12-21-15-10-6-5-9-13(15)11-17/h5-6,9-10H,3-4,7-8,12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide?
2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide has a molecular weight of 287.36 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide is sourced from PubChem (CID 9467595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).