[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C24H23NO4 — CID 7191557

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCc1ccc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C24H23NO4/c1-17-13-14-21(15-18(17)2)25-22(26)16-29-23(27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,28H,16H2,1-2H3,(H,25,26)
InChIKeyOSFIWNVAQALUHX-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.72
Rot. Bonds6

About [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 7191557) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID7191557
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCc1ccc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C24H23NO4/c1-17-13-14-21(15-18(17)2)25-22(26)16-29-23(27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,28H,16H2,1-2H3,(H,25,26)
InChIKeyOSFIWNVAQALUHX-UHFFFAOYSA-N
XLogP3.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191563
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191503
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984759
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191501
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7798138
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(3,4-dimethylanilino)-4-oxobutanoate
CID 17260934
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2674174
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738
[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191567
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
(2-anilino-2-oxoethyl) 3,4-dimethylbenzoate
CID 725026

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 7191557) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is Cc1ccc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is OSFIWNVAQALUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17-13-14-21(15-18(17)2)25-22(26)16-29-23(27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,28H,16H2,1-2H3,(H,25,26).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 389.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7191557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).