N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine

C19H19NO3 — CID 11461025

IUPACN-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine
SMILESC=COc1cc(/C=N/Cc2ccccc2)cc(OC=C)c1OC
InChIInChI=1S/C19H19NO3/c1-4-22-17-11-16(12-18(23-5-2)19(17)21-3)14-20-13-15-9-7-6-8-10-15/h4-12,14H,1-2,13H2,3H3/b20-14+
InChIKeyAOQNSMOHKRSAJA-XSFVSMFZSA-N
MW309.37 g/mol
LogP4.36
Rot. Bonds8

About N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine

N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine (PubChem CID 11461025) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine.

Molecular Properties

Compound NameN-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine
PubChem CID11461025
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine
SMILESC=COc1cc(/C=N/Cc2ccccc2)cc(OC=C)c1OC
InChIInChI=1S/C19H19NO3/c1-4-22-17-11-16(12-18(23-5-2)19(17)21-3)14-20-13-15-9-7-6-8-10-15/h4-12,14H,1-2,13H2,3H3/b20-14+
InChIKeyAOQNSMOHKRSAJA-XSFVSMFZSA-N
XLogP4.36
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
CID 2742134
N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine
CID 13212553
2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol
CID 136947963
2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide
CID 19587913
N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium
CID 59034627
[3-(benzyliminomethyl)phenyl]methanamine
CID 130181633
2-benzylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3110453
N-benzyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 3813231
(NE)-N-[(3,4,5-trimethoxyphenyl)methylidene]benzenesulfinamide
CID 135035394
4-(benzyliminomethyl)-3-fluoro-5-methoxybenzonitrile
CID 42631678
N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6260731
3-benzyl-2-benzylimino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3602044

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine?
The IUPAC name of N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine (CID 11461025) is N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine.
What is the SMILES notation for N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine?
The canonical SMILES for N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine is C=COc1cc(/C=N/Cc2ccccc2)cc(OC=C)c1OC.
What is the InChIKey of N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine?
The InChIKey is AOQNSMOHKRSAJA-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-22-17-11-16(12-18(23-5-2)19(17)21-3)14-20-13-15-9-7-6-8-10-15/h4-12,14H,1-2,13H2,3H3/b20-14+.
What are the key properties of N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine?
N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine has a molecular weight of 309.37 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine is sourced from PubChem (CID 11461025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).