methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate

C23H21NO3 — CID 3068539

IUPACmethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate
SMILESCOC(=O)C(c1ccccc1)N(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-27-23(26)22(19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)21(25)17-18-11-5-2-6-12-18/h2-16,22H,17H2,1H3
InChIKeyCWJMSZJUALDYRD-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.18
Rot. Bonds6

About methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate

methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate (PubChem CID 3068539) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate
PubChem CID3068539
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namemethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate
SMILESCOC(=O)C(c1ccccc1)N(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-27-23(26)22(19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)21(25)17-18-11-5-2-6-12-18/h2-16,22H,17H2,1H3
InChIKeyCWJMSZJUALDYRD-UHFFFAOYSA-N
XLogP4.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate?
The IUPAC name of methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate (CID 3068539) is methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate is COC(=O)C(c1ccccc1)N(C(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate?
The InChIKey is CWJMSZJUALDYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-27-23(26)22(19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)21(25)17-18-11-5-2-6-12-18/h2-16,22H,17H2,1H3.
What are the key properties of methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate?
methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate has a molecular weight of 359.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate is sourced from PubChem (CID 3068539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).