ethyl N-benzylbenzenecarboximidate

C16H17NO — CID 13001129

IUPACethyl N-benzylbenzenecarboximidate
SMILESCCO/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-2-18-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/b17-16-
InChIKeyIJJMAWBLHJSNJV-MSUUIHNZSA-N
MW239.32 g/mol
LogP3.67
Rot. Bonds4

About ethyl N-benzylbenzenecarboximidate

ethyl N-benzylbenzenecarboximidate (PubChem CID 13001129) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is ethyl N-benzylbenzenecarboximidate.

Molecular Properties

Compound Nameethyl N-benzylbenzenecarboximidate
PubChem CID13001129
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Nameethyl N-benzylbenzenecarboximidate
SMILESCCO/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-2-18-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/b17-16-
InChIKeyIJJMAWBLHJSNJV-MSUUIHNZSA-N
XLogP3.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.67
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 ethyl N-benzylbenzenecarboximidate?
The IUPAC name of ethyl N-benzylbenzenecarboximidate (CID 13001129) is ethyl N-benzylbenzenecarboximidate.
What is the SMILES notation for ethyl N-benzylbenzenecarboximidate?
The canonical SMILES for ethyl N-benzylbenzenecarboximidate is CCO/C(=N\Cc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-benzylbenzenecarboximidate?
The InChIKey is IJJMAWBLHJSNJV-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-18-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/b17-16-.
What are the key properties of ethyl N-benzylbenzenecarboximidate?
ethyl N-benzylbenzenecarboximidate has a molecular weight of 239.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-benzylbenzenecarboximidate is sourced from PubChem (CID 13001129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).