[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate

C24H23NO5 — CID 2518279

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO5/c1-28-20-13-19(14-21(15-20)29-2)24(27)30-16-22(26)25-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,16H2,1-2H3,(H,25,26)
InChIKeySHRAVDAYICXQNN-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.77
Rot. Bonds8

About [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate

[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate (PubChem CID 2518279) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
PubChem CID2518279
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO5/c1-28-20-13-19(14-21(15-20)29-2)24(27)30-16-22(26)25-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,16H2,1-2H3,(H,25,26)
InChIKeySHRAVDAYICXQNN-UHFFFAOYSA-N
XLogP3.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate (CID 2518279) is [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate?
The InChIKey is SHRAVDAYICXQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-20-13-19(14-21(15-20)29-2)24(27)30-16-22(26)25-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,16H2,1-2H3,(H,25,26).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate?
[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate has a molecular weight of 405.45 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 2518279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).