(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine

C22H21NO3 — CID 141330759

IUPAC(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
SMILESCO/N=C(\COc1ccc(COc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO3/c1-24-23-22(19-8-4-2-5-9-19)17-26-21-14-12-18(13-15-21)16-25-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3/b23-22+
InChIKeyGCKJYGUUEOYOAA-GHVJWSGMSA-N
MW347.41 g/mol
LogP4.70
Rot. Bonds8

About (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine

(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine (PubChem CID 141330759) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine.

Molecular Properties

Compound Name(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
PubChem CID141330759
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
SMILESCO/N=C(\COc1ccc(COc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO3/c1-24-23-22(19-8-4-2-5-9-19)17-26-21-14-12-18(13-15-21)16-25-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3/b23-22+
InChIKeyGCKJYGUUEOYOAA-GHVJWSGMSA-N
XLogP4.70
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.70
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'}

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Related Compounds

methyl 3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 86695725
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-phenylpropanoic acid
CID 56639772
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]butanoic acid
CID 88581379
benzyl 3-amino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 88582976
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
CID 123759809
sodium 3-cyano-3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 56640355
(3Z)-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-[(3E)-penta-1,3-dien-3-yl]oxyiminopropanoic acid
CID 88581465
3-[2-cyano-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640209
methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate
CID 87106347
methyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]-4-prop-2-enoxybut-3-enoate
CID 123219033
4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 56640140

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine?
The IUPAC name of (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine (CID 141330759) is (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine.
What is the SMILES notation for (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine?
The canonical SMILES for (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine is CO/N=C(\COc1ccc(COc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine?
The InChIKey is GCKJYGUUEOYOAA-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H21NO3/c1-24-23-22(19-8-4-2-5-9-19)17-26-21-14-12-18(13-15-21)16-25-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3/b23-22+.
What are the key properties of (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine?
(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine has a molecular weight of 347.41 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine is sourced from PubChem (CID 141330759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).