benzyl 2-(dibenzylamino)acetate

C23H23NO2 — CID 4683020

IUPACbenzyl 2-(dibenzylamino)acetate
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H23NO2/c25-23(26-19-22-14-8-3-9-15-22)18-24(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15H,16-19H2
InChIKeyCGUUNCXYRZIRJH-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.43
Rot. Bonds8

About benzyl 2-(dibenzylamino)acetate

benzyl 2-(dibenzylamino)acetate (PubChem CID 4683020) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is benzyl 2-(dibenzylamino)acetate.

Molecular Properties

Compound Namebenzyl 2-(dibenzylamino)acetate
PubChem CID4683020
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Namebenzyl 2-(dibenzylamino)acetate
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H23NO2/c25-23(26-19-22-14-8-3-9-15-22)18-24(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15H,16-19H2
InChIKeyCGUUNCXYRZIRJH-UHFFFAOYSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(dibenzylamino)acetate?
The IUPAC name of benzyl 2-(dibenzylamino)acetate (CID 4683020) is benzyl 2-(dibenzylamino)acetate.
What is the SMILES notation for benzyl 2-(dibenzylamino)acetate?
The canonical SMILES for benzyl 2-(dibenzylamino)acetate is O=C(CN(Cc1ccccc1)Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(dibenzylamino)acetate?
The InChIKey is CGUUNCXYRZIRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(26-19-22-14-8-3-9-15-22)18-24(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15H,16-19H2.
What are the key properties of benzyl 2-(dibenzylamino)acetate?
benzyl 2-(dibenzylamino)acetate has a molecular weight of 345.44 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(dibenzylamino)acetate is sourced from PubChem (CID 4683020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).