methyl 2-(dibenzylamino)-2-phenylacetate

C23H23NO2 — CID 11210145

IUPACmethyl 2-(dibenzylamino)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO2/c1-26-23(25)22(21-15-9-4-10-16-21)24(17-19-11-5-2-6-12-19)18-20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3
InChIKeyYGLZUMLZWOSPSK-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.60
Rot. Bonds7

About methyl 2-(dibenzylamino)-2-phenylacetate

methyl 2-(dibenzylamino)-2-phenylacetate (PubChem CID 11210145) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is methyl 2-(dibenzylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(dibenzylamino)-2-phenylacetate
PubChem CID11210145
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Namemethyl 2-(dibenzylamino)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO2/c1-26-23(25)22(21-15-9-4-10-16-21)24(17-19-11-5-2-6-12-19)18-20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3
InChIKeyYGLZUMLZWOSPSK-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dibenzylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(dibenzylamino)-2-phenylacetate (CID 11210145) is methyl 2-(dibenzylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(dibenzylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(dibenzylamino)-2-phenylacetate is COC(=O)C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 2-(dibenzylamino)-2-phenylacetate?
The InChIKey is YGLZUMLZWOSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-26-23(25)22(21-15-9-4-10-16-21)24(17-19-11-5-2-6-12-19)18-20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3.
What are the key properties of methyl 2-(dibenzylamino)-2-phenylacetate?
methyl 2-(dibenzylamino)-2-phenylacetate has a molecular weight of 345.44 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dibenzylamino)-2-phenylacetate is sourced from PubChem (CID 11210145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).