methyl N-benzyl-2-oxo-2-phenylethanimidate

C16H15NO2 — CID 141270331

IUPACmethyl N-benzyl-2-oxo-2-phenylethanimidate
SMILESCO/C(=N\Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(15(18)14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3/b17-16-
InChIKeyHEDBFGVMLOGDLV-MSUUIHNZSA-N
MW253.30 g/mol
LogP3.11
Rot. Bonds4

About methyl N-benzyl-2-oxo-2-phenylethanimidate

methyl N-benzyl-2-oxo-2-phenylethanimidate (PubChem CID 141270331) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl N-benzyl-2-oxo-2-phenylethanimidate.

Molecular Properties

Compound Namemethyl N-benzyl-2-oxo-2-phenylethanimidate
PubChem CID141270331
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl N-benzyl-2-oxo-2-phenylethanimidate
SMILESCO/C(=N\Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(15(18)14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3/b17-16-
InChIKeyHEDBFGVMLOGDLV-MSUUIHNZSA-N
XLogP3.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-Phenyl-2-(1-phenylethylimino)ethanone
CID 13351393
Benzoyloxazoline
CID 129873934
3-Benzylimino-2-methyl-1-phenylprop-2-en-1-one
CID 134921984
phenacyl N-benzyl-N-methylcarbamate
CID 138963636
(1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate
CID 164677335
[(4R,5S)-4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
CID 101867320
[(4S,5R)-4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
CID 101867321
phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone
CID 15075341
3-Benzylimino-1-phenylbutan-1-one
CID 7157384
4-(1-Benzylpiperidin-4-yl)-2-methoxy-1-phenylbutan-1-one
CID 23223154
4-(Benzylideneamino)-2-methoxy-1-phenylbutan-1-one
CID 54497559
5-(Benzylideneamino)-2-methoxy-1-phenylpentan-1-one
CID 54540978

Frequently Asked Questions

What is the IUPAC name of methyl N-benzyl-2-oxo-2-phenylethanimidate?
The IUPAC name of methyl N-benzyl-2-oxo-2-phenylethanimidate (CID 141270331) is methyl N-benzyl-2-oxo-2-phenylethanimidate.
What is the SMILES notation for methyl N-benzyl-2-oxo-2-phenylethanimidate?
The canonical SMILES for methyl N-benzyl-2-oxo-2-phenylethanimidate is CO/C(=N\Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of methyl N-benzyl-2-oxo-2-phenylethanimidate?
The InChIKey is HEDBFGVMLOGDLV-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-16(15(18)14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3/b17-16-.
What are the key properties of methyl N-benzyl-2-oxo-2-phenylethanimidate?
methyl N-benzyl-2-oxo-2-phenylethanimidate has a molecular weight of 253.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzyl-2-oxo-2-phenylethanimidate is sourced from PubChem (CID 141270331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).