tert-butyl N-(1-phenylethyl)ethanimidate

C14H21NO — CID 123158045

IUPACtert-butyl N-(1-phenylethyl)ethanimidate
SMILESC/C(=N\C(C)c1ccccc1)OC(C)(C)C
InChIInChI=1S/C14H21NO/c1-11(13-9-7-6-8-10-13)15-12(2)16-14(3,4)5/h6-11H,1-5H3/b15-12+
InChIKeyDNXKNTSQQBAODT-NTCAYCPXSA-N
MW219.33 g/mol
LogP3.98
Rot. Bonds2

About tert-butyl N-(1-phenylethyl)ethanimidate

tert-butyl N-(1-phenylethyl)ethanimidate (PubChem CID 123158045) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is tert-butyl N-(1-phenylethyl)ethanimidate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylethyl)ethanimidate
PubChem CID123158045
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametert-butyl N-(1-phenylethyl)ethanimidate
SMILESC/C(=N\C(C)c1ccccc1)OC(C)(C)C
InChIInChI=1S/C14H21NO/c1-11(13-9-7-6-8-10-13)15-12(2)16-14(3,4)5/h6-11H,1-5H3/b15-12+
InChIKeyDNXKNTSQQBAODT-NTCAYCPXSA-N
XLogP3.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylethyl)ethanimidate?
The IUPAC name of tert-butyl N-(1-phenylethyl)ethanimidate (CID 123158045) is tert-butyl N-(1-phenylethyl)ethanimidate.
What is the SMILES notation for tert-butyl N-(1-phenylethyl)ethanimidate?
The canonical SMILES for tert-butyl N-(1-phenylethyl)ethanimidate is C/C(=N\C(C)c1ccccc1)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-phenylethyl)ethanimidate?
The InChIKey is DNXKNTSQQBAODT-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(13-9-7-6-8-10-13)15-12(2)16-14(3,4)5/h6-11H,1-5H3/b15-12+.
What are the key properties of tert-butyl N-(1-phenylethyl)ethanimidate?
tert-butyl N-(1-phenylethyl)ethanimidate has a molecular weight of 219.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylethyl)ethanimidate is sourced from PubChem (CID 123158045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).