methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate

C18H21NO3 — CID 10851700

IUPACmethyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate
SMILESCOC/C(=N\C(OC)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C18H21NO3/c1-20-14-17(21-2)19-18(22-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3/b19-17+
InChIKeyPKILIZSPJIGBRE-HTXNQAPBSA-N
MW299.37 g/mol
LogP3.23
Rot. Bonds6

About methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate

methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate (PubChem CID 10851700) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate.

Molecular Properties

Compound Namemethyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate
PubChem CID10851700
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate
SMILESCOC/C(=N\C(OC)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C18H21NO3/c1-20-14-17(21-2)19-18(22-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3/b19-17+
InChIKeyPKILIZSPJIGBRE-HTXNQAPBSA-N
XLogP3.23
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-n,n-dimethyl-1,1-diphenylmethanamine
CID 219164
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
CID 139048239
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974
(2S)-N-(2,3-Dibenzyloxypropylidene)benzylamine
CID 10959323
(4R,5S)-2-methyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 12643448
(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 164668216
3-Ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
CID 15363396
N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 5889185
ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate
CID 10568530
(2S)-N-[(1S)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine
CID 10861667

Frequently Asked Questions

What is the IUPAC name of methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate?
The IUPAC name of methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate (CID 10851700) is methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate.
What is the SMILES notation for methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate?
The canonical SMILES for methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate is COC/C(=N\C(OC)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate?
The InChIKey is PKILIZSPJIGBRE-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H21NO3/c1-20-14-17(21-2)19-18(22-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3/b19-17+.
What are the key properties of methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate?
methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate has a molecular weight of 299.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate is sourced from PubChem (CID 10851700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).