N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide

C17H15N3O2 — CID 2858991

IUPACN'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide
SMILESCOc1ccc(N(/C=N/C#N)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-16-9-7-15(8-10-16)20(13-19-12-18)11-17(21)14-5-3-2-4-6-14/h2-10,13H,11H2,1H3/b19-13+
InChIKeySUCJOXLPJJEIJG-CPNJWEJPSA-N
MW293.33 g/mol
LogP2.89
Rot. Bonds6

About N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide

N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide (PubChem CID 2858991) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide.

Molecular Properties

Compound NameN'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide
PubChem CID2858991
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide
SMILESCOc1ccc(N(/C=N/C#N)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-16-9-7-15(8-10-16)20(13-19-12-18)11-17(21)14-5-3-2-4-6-14/h2-10,13H,11H2,1H3/b19-13+
InChIKeySUCJOXLPJJEIJG-CPNJWEJPSA-N
XLogP2.89
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide?
The IUPAC name of N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide (CID 2858991) is N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide.
What is the SMILES notation for N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide?
The canonical SMILES for N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide is COc1ccc(N(/C=N/C#N)CC(=O)c2ccccc2)cc1.
What is the InChIKey of N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide?
The InChIKey is SUCJOXLPJJEIJG-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-16-9-7-15(8-10-16)20(13-19-12-18)11-17(21)14-5-3-2-4-6-14/h2-10,13H,11H2,1H3/b19-13+.
What are the key properties of N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide?
N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide has a molecular weight of 293.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-N-(4-methoxyphenyl)-N-phenacylmethanimidamide is sourced from PubChem (CID 2858991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).