N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide

C17H15N3O2 — CID 833030

IUPACN-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H15N3O2/c1-13-3-2-4-16(9-13)22-12-17(21)20-19-11-15-7-5-14(10-18)6-8-15/h2-9,11H,12H2,1H3,(H,20,21)
InChIKeyKPRGGPOZUBEBDA-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.40
Rot. Bonds5

About N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide

N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 833030) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID833030
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H15N3O2/c1-13-3-2-4-16(9-13)22-12-17(21)20-19-11-15-7-5-14(10-18)6-8-15/h2-9,11H,12H2,1H3,(H,20,21)
InChIKeyKPRGGPOZUBEBDA-UHFFFAOYSA-N
XLogP2.40
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.40
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'}

Analyze N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 2392759
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9217503
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide (CID 833030) is N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NN=Cc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is KPRGGPOZUBEBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-13-3-2-4-16(9-13)22-12-17(21)20-19-11-15-7-5-14(10-18)6-8-15/h2-9,11H,12H2,1H3,(H,20,21).
What are the key properties of N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 833030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).