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

C24H21NO4 — CID 2353601

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C24H21NO4/c1-16-11-13-18(14-12-16)23(27)19-8-4-5-9-20(19)24(28)29-15-22(26)25-21-10-6-3-7-17(21)2/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyONUBYPMOFADBFU-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.33
Rot. Bonds6

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

[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 2353601) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID2353601
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C24H21NO4/c1-16-11-13-18(14-12-16)23(27)19-8-4-5-9-20(19)24(28)29-15-22(26)25-21-10-6-3-7-17(21)2/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyONUBYPMOFADBFU-UHFFFAOYSA-N
XLogP4.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718093
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2645554
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2078940
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2378879
[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (CID 2353601) is [2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is ONUBYPMOFADBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-16-11-13-18(14-12-16)23(27)19-8-4-5-9-20(19)24(28)29-15-22(26)25-21-10-6-3-7-17(21)2/h3-14H,15H2,1-2H3,(H,25,26).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 387.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 2353601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).