[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

C25H21NO5 — CID 2605484

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H21NO5/c1-16-11-13-18(14-12-16)24(29)20-8-3-4-9-21(20)25(30)31-15-23(28)26-22-10-6-5-7-19(22)17(2)27/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyHYXAUNWULWMTJY-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.22
Rot. Bonds7

About [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 2605484) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID2605484
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H21NO5/c1-16-11-13-18(14-12-16)24(29)20-8-3-4-9-21(20)25(30)31-15-23(28)26-22-10-6-5-7-19(22)17(2)27/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyHYXAUNWULWMTJY-UHFFFAOYSA-N
XLogP4.22
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611608
[2-(2-acetylanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 35792986
[2-(2-acetylanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631779
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
[2-(2-acetylanilino)-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 17419624
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2645554
[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123172
[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2408217

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (CID 2605484) is [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is HYXAUNWULWMTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-16-11-13-18(14-12-16)24(29)20-8-3-4-9-21(20)25(30)31-15-23(28)26-22-10-6-5-7-19(22)17(2)27/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 415.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 2605484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).