methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate

C24H23NO3 — CID 3068541

IUPACmethyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C24H23NO3/c1-28-24(27)23(21-15-9-4-10-16-21)25(18-20-13-7-3-8-14-20)22(26)17-19-11-5-2-6-12-19/h2-16,23H,17-18H2,1H3
InChIKeyAXPDBEILXSPVLT-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.17
Rot. Bonds7

About methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate

methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate (PubChem CID 3068541) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate
PubChem CID3068541
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namemethyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C24H23NO3/c1-28-24(27)23(21-15-9-4-10-16-21)25(18-20-13-7-3-8-14-20)22(26)17-19-11-5-2-6-12-19/h2-16,23H,17-18H2,1H3
InChIKeyAXPDBEILXSPVLT-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate (CID 3068541) is methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate is COC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate?
The InChIKey is AXPDBEILXSPVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-28-24(27)23(21-15-9-4-10-16-21)25(18-20-13-7-3-8-14-20)22(26)17-19-11-5-2-6-12-19/h2-16,23H,17-18H2,1H3.
What are the key properties of methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate?
methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate has a molecular weight of 373.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate is sourced from PubChem (CID 3068541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).