methyl 2-(dibenzylamino)acetate

C17H19NO2 — CID 4990071

IUPACmethyl 2-(dibenzylamino)acetate
SMILESCOC(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c1-20-17(19)14-18(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyLHIQQTZOSWEAKY-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.86
Rot. Bonds6

About methyl 2-(dibenzylamino)acetate

methyl 2-(dibenzylamino)acetate (PubChem CID 4990071) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-(dibenzylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(dibenzylamino)acetate
PubChem CID4990071
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-(dibenzylamino)acetate
SMILESCOC(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c1-20-17(19)14-18(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyLHIQQTZOSWEAKY-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dibenzylamino)acetate?
The IUPAC name of methyl 2-(dibenzylamino)acetate (CID 4990071) is methyl 2-(dibenzylamino)acetate.
What is the SMILES notation for methyl 2-(dibenzylamino)acetate?
The canonical SMILES for methyl 2-(dibenzylamino)acetate is COC(=O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 2-(dibenzylamino)acetate?
The InChIKey is LHIQQTZOSWEAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17(19)14-18(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3.
What are the key properties of methyl 2-(dibenzylamino)acetate?
methyl 2-(dibenzylamino)acetate has a molecular weight of 269.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dibenzylamino)acetate is sourced from PubChem (CID 4990071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).