ethyl 2-(benzylideneamino)-2-phenylbutanoate

C19H21NO2 — CID 10517972

IUPACethyl 2-(benzylideneamino)-2-phenylbutanoate
SMILESCCOC(=O)C(CC)(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-3-19(18(21)22-4-2,17-13-9-6-10-14-17)20-15-16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b20-15+
InChIKeyDFYSDJQIKVRUGP-HMMYKYKNSA-N
MW295.38 g/mol
LogP3.97
Rot. Bonds6

About ethyl 2-(benzylideneamino)-2-phenylbutanoate

ethyl 2-(benzylideneamino)-2-phenylbutanoate (PubChem CID 10517972) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 2-(benzylideneamino)-2-phenylbutanoate.

Molecular Properties

Compound Nameethyl 2-(benzylideneamino)-2-phenylbutanoate
PubChem CID10517972
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl 2-(benzylideneamino)-2-phenylbutanoate
SMILESCCOC(=O)C(CC)(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-3-19(18(21)22-4-2,17-13-9-6-10-14-17)20-15-16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b20-15+
InChIKeyDFYSDJQIKVRUGP-HMMYKYKNSA-N
XLogP3.97
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylideneamino)-2-phenylbutanoate?
The IUPAC name of ethyl 2-(benzylideneamino)-2-phenylbutanoate (CID 10517972) is ethyl 2-(benzylideneamino)-2-phenylbutanoate.
What is the SMILES notation for ethyl 2-(benzylideneamino)-2-phenylbutanoate?
The canonical SMILES for ethyl 2-(benzylideneamino)-2-phenylbutanoate is CCOC(=O)C(CC)(/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-(benzylideneamino)-2-phenylbutanoate?
The InChIKey is DFYSDJQIKVRUGP-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-19(18(21)22-4-2,17-13-9-6-10-14-17)20-15-16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b20-15+.
What are the key properties of ethyl 2-(benzylideneamino)-2-phenylbutanoate?
ethyl 2-(benzylideneamino)-2-phenylbutanoate has a molecular weight of 295.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylideneamino)-2-phenylbutanoate is sourced from PubChem (CID 10517972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).