ethyl 2-hydroxy-2,2-diphenylethanimidate

C16H17NO2 — CID 139840851

IUPACethyl 2-hydroxy-2,2-diphenylethanimidate
SMILES[H]/N=C(\OCC)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,17-18H,2H2,1H3/b17-15-
InChIKeyOPCYNRMTVALQTR-ICFOKQHNSA-N
MW255.32 g/mol
LogP2.94
Rot. Bonds4

About ethyl 2-hydroxy-2,2-diphenylethanimidate

ethyl 2-hydroxy-2,2-diphenylethanimidate (PubChem CID 139840851) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 2-hydroxy-2,2-diphenylethanimidate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2,2-diphenylethanimidate
PubChem CID139840851
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nameethyl 2-hydroxy-2,2-diphenylethanimidate
SMILES[H]/N=C(\OCC)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,17-18H,2H2,1H3/b17-15-
InChIKeyOPCYNRMTVALQTR-ICFOKQHNSA-N
XLogP2.94
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
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

O-ethyl N-(2-phenylpropan-2-yl)carbamothioate
CID 101474964
2-ethoxycarbonyl-4-hydroxy-4-phenylpentanoic acid
CID 113360333
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl (3R)-3-hydroxy-2,2-dimethyl-3-phenylpentanoate
CID 13010841
ethyl (2R,3S)-2-bromo-3-hydroxy-3-phenylbutanoate
CID 11500207
ethoxyethane;triphenylmethanol
CID 70428584
O-ethyl tritylsulfanylmethanethioate
CID 14898269
(1S)-1-methoxy-1-phenylethanol
CID 141414609
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
1-[ethoxy(methyl)amino]-1-phenylethanol
CID 88599607
(3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine
CID 125466316

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2,2-diphenylethanimidate?
The IUPAC name of ethyl 2-hydroxy-2,2-diphenylethanimidate (CID 139840851) is ethyl 2-hydroxy-2,2-diphenylethanimidate.
What is the SMILES notation for ethyl 2-hydroxy-2,2-diphenylethanimidate?
The canonical SMILES for ethyl 2-hydroxy-2,2-diphenylethanimidate is [H]/N=C(\OCC)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-2,2-diphenylethanimidate?
The InChIKey is OPCYNRMTVALQTR-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,17-18H,2H2,1H3/b17-15-.
What are the key properties of ethyl 2-hydroxy-2,2-diphenylethanimidate?
ethyl 2-hydroxy-2,2-diphenylethanimidate has a molecular weight of 255.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2,2-diphenylethanimidate is sourced from PubChem (CID 139840851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).