(1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide

C17H16N2O2 — CID 22415779

IUPAC(1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide
SMILESCO/N=C(\C#N)c1ccccc1COc1ccc(C)cc1
InChIInChI=1S/C17H16N2O2/c1-13-7-9-15(10-8-13)21-12-14-5-3-4-6-16(14)17(11-18)19-20-2/h3-10H,12H2,1-2H3/b19-17+
InChIKeyKDYZPITUPTZTFA-HTXNQAPBSA-N
MW280.33 g/mol
LogP3.45
Rot. Bonds5

About (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide

(1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide (PubChem CID 22415779) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide.

Molecular Properties

Compound Name(1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide
PubChem CID22415779
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide
SMILESCO/N=C(\C#N)c1ccccc1COc1ccc(C)cc1
InChIInChI=1S/C17H16N2O2/c1-13-7-9-15(10-8-13)21-12-14-5-3-4-6-16(14)17(11-18)19-20-2/h3-10H,12H2,1-2H3/b19-17+
InChIKeyKDYZPITUPTZTFA-HTXNQAPBSA-N
XLogP3.45
TPSA54.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
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 (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide 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

2-[(3-chloro-4-fluorophenoxy)methyl]-N-methoxybenzenecarboximidoyl cyanide
CID 54371343
(1Z)-N-methoxy-2-[(propan-2-ylideneamino)oxymethyl]benzenecarboximidoyl cyanide
CID 22944327
2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide
CID 57224207
(2E)-2-methoxyimino-2-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]ethanethioamide;(1E)-N-methoxy-2-[(propan-2-ylideneamino)oxymethyl]benzenecarboximidoyl cyanide;sulfane
CID 172929086
(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde
CID 59317946
2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide
CID 139653553
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
(2E)-2-methoxyimino-N-methyl-2-[2-[(4-prop-2-ynoxyphenoxy)methyl]phenyl]acetamide
CID 22419093
2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
CID 54063323
N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide
CID 54015360
1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine
CID 54395015

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide?
The IUPAC name of (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide (CID 22415779) is (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide.
What is the SMILES notation for (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide?
The canonical SMILES for (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide is CO/N=C(\C#N)c1ccccc1COc1ccc(C)cc1.
What is the InChIKey of (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide?
The InChIKey is KDYZPITUPTZTFA-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-7-9-15(10-8-13)21-12-14-5-3-4-6-16(14)17(11-18)19-20-2/h3-10H,12H2,1-2H3/b19-17+.
What are the key properties of (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide?
(1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide has a molecular weight of 280.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide is sourced from PubChem (CID 22415779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).