ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate

C24H23NO2 — CID 118155637

IUPACethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C\NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-2-27-24(26)22(19-12-6-3-7-13-19)18-25-23(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,23,25H,2H2,1H3/b22-18-
InChIKeyLOLBPILTGDZYLF-PYCFMQQDSA-N
MW357.45 g/mol
LogP4.97
Rot. Bonds7

About ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate

ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate (PubChem CID 118155637) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate
PubChem CID118155637
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Nameethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C\NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-2-27-24(26)22(19-12-6-3-7-13-19)18-25-23(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,23,25H,2H2,1H3/b22-18-
InChIKeyLOLBPILTGDZYLF-PYCFMQQDSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate (CID 118155637) is ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate is CCOC(=O)/C(=C\NC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate?
The InChIKey is LOLBPILTGDZYLF-PYCFMQQDSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-27-24(26)22(19-12-6-3-7-13-19)18-25-23(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,23,25H,2H2,1H3/b22-18-.
What are the key properties of ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate?
ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate has a molecular weight of 357.45 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(benzhydrylamino)-2-phenylprop-2-enoate is sourced from PubChem (CID 118155637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).