benzyl 2-[(2,2-diphenylacetyl)amino]acetate

C23H21NO3 — CID 1100660

IUPACbenzyl 2-[(2,2-diphenylacetyl)amino]acetate
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H21NO3/c25-21(27-17-18-10-4-1-5-11-18)16-24-23(26)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2,(H,24,26)
InChIKeyLZVTUCSZHWLWST-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.68
Rot. Bonds7

About benzyl 2-[(2,2-diphenylacetyl)amino]acetate

benzyl 2-[(2,2-diphenylacetyl)amino]acetate (PubChem CID 1100660) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is benzyl 2-[(2,2-diphenylacetyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2,2-diphenylacetyl)amino]acetate
PubChem CID1100660
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namebenzyl 2-[(2,2-diphenylacetyl)amino]acetate
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H21NO3/c25-21(27-17-18-10-4-1-5-11-18)16-24-23(26)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2,(H,24,26)
InChIKeyLZVTUCSZHWLWST-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2,2-diphenylacetyl)amino]acetate?
The IUPAC name of benzyl 2-[(2,2-diphenylacetyl)amino]acetate (CID 1100660) is benzyl 2-[(2,2-diphenylacetyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2,2-diphenylacetyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2,2-diphenylacetyl)amino]acetate is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2,2-diphenylacetyl)amino]acetate?
The InChIKey is LZVTUCSZHWLWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-21(27-17-18-10-4-1-5-11-18)16-24-23(26)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2,(H,24,26).
What are the key properties of benzyl 2-[(2,2-diphenylacetyl)amino]acetate?
benzyl 2-[(2,2-diphenylacetyl)amino]acetate has a molecular weight of 359.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2,2-diphenylacetyl)amino]acetate is sourced from PubChem (CID 1100660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).