ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate

C24H23NO2 — CID 14414660

IUPACethyl 2-(benzhydrylideneamino)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-2-27-24(26)22(18-19-12-6-3-7-13-19)25-23(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3
InChIKeyGMTZQZAMGDGOLZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.70
Rot. Bonds7

About ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate

ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate (PubChem CID 14414660) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(benzhydrylideneamino)-3-phenylpropanoate
PubChem CID14414660
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Nameethyl 2-(benzhydrylideneamino)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-2-27-24(26)22(18-19-12-6-3-7-13-19)25-23(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3
InChIKeyGMTZQZAMGDGOLZ-UHFFFAOYSA-N
XLogP4.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.70
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-(benzhydrylideneamino)-3-phenylpropanoate?
The IUPAC name of ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate (CID 14414660) is ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate?
The canonical SMILES for ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate?
The InChIKey is GMTZQZAMGDGOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-27-24(26)22(18-19-12-6-3-7-13-19)25-23(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3.
What are the key properties of ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate?
ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate has a molecular weight of 357.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzhydrylideneamino)-3-phenylpropanoate is sourced from PubChem (CID 14414660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).