methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate

C23H21NO3 — CID 1295002

IUPACmethyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c1-27-21(25)16-17-12-14-20(15-13-17)24-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3,(H,24,26)
InChIKeyGOWAICOKQTWDLW-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.17
Rot. Bonds6

About methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate

methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate (PubChem CID 1295002) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate
PubChem CID1295002
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namemethyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c1-27-21(25)16-17-12-14-20(15-13-17)24-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3,(H,24,26)
InChIKeyGOWAICOKQTWDLW-UHFFFAOYSA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate (CID 1295002) is methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate is COC(=O)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate?
The InChIKey is GOWAICOKQTWDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-27-21(25)16-17-12-14-20(15-13-17)24-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3,(H,24,26).
What are the key properties of methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate?
methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate has a molecular weight of 359.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2,2-diphenylacetyl)amino]phenyl]acetate is sourced from PubChem (CID 1295002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).