4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile

C23H20N2O3 — CID 2457929

IUPAC4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
SMILESCOc1ccc(C=NOCc2ccc(C#N)cc2)cc1OCc1ccccc1
InChIInChI=1S/C23H20N2O3/c1-26-22-12-11-21(13-23(22)27-16-19-5-3-2-4-6-19)15-25-28-17-20-9-7-18(14-24)8-10-20/h2-13,15H,16-17H2,1H3
InChIKeyWTLFKWPYZUZDMX-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.70
Rot. Bonds8

About 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile

4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile (PubChem CID 2457929) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
PubChem CID2457929
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
SMILESCOc1ccc(C=NOCc2ccc(C#N)cc2)cc1OCc1ccccc1
InChIInChI=1S/C23H20N2O3/c1-26-22-12-11-21(13-23(22)27-16-19-5-3-2-4-6-19)15-25-28-17-20-9-7-18(14-24)8-10-20/h2-13,15H,16-17H2,1H3
InChIKeyWTLFKWPYZUZDMX-UHFFFAOYSA-N
XLogP4.70
TPSA63.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 6906138
4-[[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2444807
(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine
CID 6905782
4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2435222
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
(Z)-N-[(2-fluorophenyl)methoxy]-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 7669404
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile
CID 26054579
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline
CID 4065737
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
CID 75265021
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 4283687

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile?
The IUPAC name of 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile (CID 2457929) is 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile.
What is the SMILES notation for 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile?
The canonical SMILES for 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile is COc1ccc(C=NOCc2ccc(C#N)cc2)cc1OCc1ccccc1.
What is the InChIKey of 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile?
The InChIKey is WTLFKWPYZUZDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-26-22-12-11-21(13-23(22)27-16-19-5-3-2-4-6-19)15-25-28-17-20-9-7-18(14-24)8-10-20/h2-13,15H,16-17H2,1H3.
What are the key properties of 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile?
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile has a molecular weight of 372.42 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile is sourced from PubChem (CID 2457929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).