(1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate

C24H23NO3 — CID 118256616

IUPAC(1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate
SMILESCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H23NO3/c1-2-21(23(26)25-20-16-10-5-11-17-20)28-24(27)22(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,2H2,1H3,(H,25,26)
InChIKeyWFZXQUNSXPVZOD-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.78
Rot. Bonds7

About (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate

(1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate (PubChem CID 118256616) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate
PubChem CID118256616
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate
SMILESCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H23NO3/c1-2-21(23(26)25-20-16-10-5-11-17-20)28-24(27)22(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,2H2,1H3,(H,25,26)
InChIKeyWFZXQUNSXPVZOD-UHFFFAOYSA-N
XLogP4.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate?
The IUPAC name of (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate (CID 118256616) is (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate.
What is the SMILES notation for (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate?
The canonical SMILES for (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate is CCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate?
The InChIKey is WFZXQUNSXPVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-21(23(26)25-20-16-10-5-11-17-20)28-24(27)22(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,2H2,1H3,(H,25,26).
What are the key properties of (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate?
(1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate has a molecular weight of 373.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxobutan-2-yl) 2,2-diphenylacetate is sourced from PubChem (CID 118256616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).