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

C24H23NO3 — CID 3068543

IUPACethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate
SMILESCCOC(=O)C(c1ccccc1)N(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-2-28-24(27)23(20-14-8-4-9-15-20)25(21-16-10-5-11-17-21)22(26)18-19-12-6-3-7-13-19/h3-17,23H,2,18H2,1H3
InChIKeyMDUOIBBTBJENPW-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.57
Rot. Bonds7

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

ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate (PubChem CID 3068543) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate
PubChem CID3068543
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nameethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate
SMILESCCOC(=O)C(c1ccccc1)N(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-2-28-24(27)23(20-14-8-4-9-15-20)25(21-16-10-5-11-17-21)22(26)18-19-12-6-3-7-13-19/h3-17,23H,2,18H2,1H3
InChIKeyMDUOIBBTBJENPW-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate?
The IUPAC name of ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate (CID 3068543) is ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate.
What is the SMILES notation for ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate?
The canonical SMILES for ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate is CCOC(=O)C(c1ccccc1)N(C(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate?
The InChIKey is MDUOIBBTBJENPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-28-24(27)23(20-14-8-4-9-15-20)25(21-16-10-5-11-17-21)22(26)18-19-12-6-3-7-13-19/h3-17,23H,2,18H2,1H3.
What are the key properties of ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate?
ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate has a molecular weight of 373.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate is sourced from PubChem (CID 3068543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).