ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate

C16H25NO — CID 10586589

IUPACethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
SMILES[H]/N=C(/Cc1c(C)cc(C(C)(C)C)cc1C)OCC
InChIInChI=1S/C16H25NO/c1-7-18-15(17)10-14-11(2)8-13(9-12(14)3)16(4,5)6/h8-9,17H,7,10H2,1-6H3/b17-15-
InChIKeyZIWJBERLYLPXRB-ICFOKQHNSA-N
MW247.38 g/mol
LogP4.16
Rot. Bonds3

About ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate

ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate (PubChem CID 10586589) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
PubChem CID10586589
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
SMILES[H]/N=C(/Cc1c(C)cc(C(C)(C)C)cc1C)OCC
InChIInChI=1S/C16H25NO/c1-7-18-15(17)10-14-11(2)8-13(9-12(14)3)16(4,5)6/h8-9,17H,7,10H2,1-6H3/b17-15-
InChIKeyZIWJBERLYLPXRB-ICFOKQHNSA-N
XLogP4.16
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Ethyl 2-phenylethanimidoate
CID 408218
Ethyl 2-naphthalen-2-ylethanimidate
CID 12713953
Ethyl 2-(4-methylphenyl)ethanecarboximidate hydrochloride
CID 13430814
Ethyl 2-(2-methylphenyl)ethanimidate--hydrogen chloride (1/1)
CID 20076957
Ethyl 2-methyl-2-[2-(trifluoromethyl)phenyl]hexanimidate
CID 68274023
Ethyl 1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboximidate
CID 89854424
Ethyl 2-[2-(trifluoromethyl)phenyl]hexanimidate
CID 91476437
Methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate
CID 145339129
2-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016
Ethyl 2-(3-methylphenyl)ethanecarboximidate hydrochloride
CID 46318434
Ethyl 2-phenylbutanimidate
CID 83526160
2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 86092682

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate?
The IUPAC name of ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate (CID 10586589) is ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate.
What is the SMILES notation for ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate?
The canonical SMILES for ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate is [H]/N=C(/Cc1c(C)cc(C(C)(C)C)cc1C)OCC.
What is the InChIKey of ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate?
The InChIKey is ZIWJBERLYLPXRB-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H25NO/c1-7-18-15(17)10-14-11(2)8-13(9-12(14)3)16(4,5)6/h8-9,17H,7,10H2,1-6H3/b17-15-.
What are the key properties of ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate?
ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate has a molecular weight of 247.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate is sourced from PubChem (CID 10586589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).