(1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate

C24H23NO3 — CID 141461347

IUPAC(1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate
SMILESCCC(OC(=O)Cc1ccccc1-c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H23NO3/c1-2-22(24(27)25-20-14-7-4-8-15-20)28-23(26)17-19-13-9-10-16-21(19)18-11-5-3-6-12-18/h3-16,22H,2,17H2,1H3,(H,25,27)
InChIKeyINUHOXWQEWZNAG-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.86
Rot. Bonds7

About (1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate

(1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate (PubChem CID 141461347) 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-phenylphenyl)acetate.

Molecular Properties

Compound Name(1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate
PubChem CID141461347
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate
SMILESCCC(OC(=O)Cc1ccccc1-c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H23NO3/c1-2-22(24(27)25-20-14-7-4-8-15-20)28-23(26)17-19-13-9-10-16-21(19)18-11-5-3-6-12-18/h3-16,22H,2,17H2,1H3,(H,25,27)
InChIKeyINUHOXWQEWZNAG-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
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-phenylphenyl)acetate?
The IUPAC name of (1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate (CID 141461347) is (1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate.
What is the SMILES notation for (1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate?
The canonical SMILES for (1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate is CCC(OC(=O)Cc1ccccc1-c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate?
The InChIKey is INUHOXWQEWZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-22(24(27)25-20-14-7-4-8-15-20)28-23(26)17-19-13-9-10-16-21(19)18-11-5-3-6-12-18/h3-16,22H,2,17H2,1H3,(H,25,27).
What are the key properties of (1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate?
(1-anilino-1-oxobutan-2-yl) 2-(2-phenylphenyl)acetate has a molecular weight of 373.45 g/mol, XLogP of 4.86, 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-phenylphenyl)acetate is sourced from PubChem (CID 141461347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).