[2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate

C24H23NO3 — CID 2365335

IUPAC[2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C24H23NO3/c26-23(25-17-19-10-4-1-5-11-19)18-28-24(27)16-22(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26)
InChIKeyRJIFXLNZRACTSP-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.07
Rot. Bonds8

About [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 2365335) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID2365335
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C24H23NO3/c26-23(25-17-19-10-4-1-5-11-19)18-28-24(27)16-22(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26)
InChIKeyRJIFXLNZRACTSP-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 2365335) is [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate is O=C(COC(=O)CC(c1ccccc1)c1ccccc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is RJIFXLNZRACTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c26-23(25-17-19-10-4-1-5-11-19)18-28-24(27)16-22(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 373.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 2365335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).