ethyl 2-(dibenzylamino)acetate

C18H21NO2 — CID 3553452

IUPACethyl 2-(dibenzylamino)acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-21-18(20)15-19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyAFMDCFOWHWNQBP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.25
Rot. Bonds7

About ethyl 2-(dibenzylamino)acetate

ethyl 2-(dibenzylamino)acetate (PubChem CID 3553452) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-(dibenzylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(dibenzylamino)acetate
PubChem CID3553452
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-(dibenzylamino)acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-21-18(20)15-19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyAFMDCFOWHWNQBP-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dibenzylamino)acetate?
The IUPAC name of ethyl 2-(dibenzylamino)acetate (CID 3553452) is ethyl 2-(dibenzylamino)acetate.
What is the SMILES notation for ethyl 2-(dibenzylamino)acetate?
The canonical SMILES for ethyl 2-(dibenzylamino)acetate is CCOC(=O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 2-(dibenzylamino)acetate?
The InChIKey is AFMDCFOWHWNQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-21-18(20)15-19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3.
What are the key properties of ethyl 2-(dibenzylamino)acetate?
ethyl 2-(dibenzylamino)acetate has a molecular weight of 283.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dibenzylamino)acetate is sourced from PubChem (CID 3553452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).