methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate

C30H27NO3 — CID 10026731

IUPACmethyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate
SMILESCOC(=O)c1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H27NO3/c1-34-30(33)26-19-17-22(18-20-26)21-27(23-11-5-2-6-12-23)31-29(32)28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,27-28H,21H2,1H3,(H,31,32)
InChIKeyPLRJNLJFUOQXEN-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.71
Rot. Bonds8

About methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate

methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate (PubChem CID 10026731) has the molecular formula C30H27NO3 and a molecular weight of 449.55 g/mol. Its IUPAC name is methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate
PubChem CID10026731
Molecular FormulaC30H27NO3
Molecular Weight449.55 g/mol
Exact Mass449.20
IUPAC Namemethyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate
SMILESCOC(=O)c1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H27NO3/c1-34-30(33)26-19-17-22(18-20-26)21-27(23-11-5-2-6-12-23)31-29(32)28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,27-28H,21H2,1H3,(H,31,32)
InChIKeyPLRJNLJFUOQXEN-UHFFFAOYSA-N
XLogP5.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate?
The IUPAC name of methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate (CID 10026731) is methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate?
The canonical SMILES for methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate is COC(=O)c1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate?
The InChIKey is PLRJNLJFUOQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO3/c1-34-30(33)26-19-17-22(18-20-26)21-27(23-11-5-2-6-12-23)31-29(32)28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,27-28H,21H2,1H3,(H,31,32).
What are the key properties of methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate?
methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate has a molecular weight of 449.55 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoate is sourced from PubChem (CID 10026731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).