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

C24H20N2O5 — CID 2605601

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C24H20N2O5/c1-15-6-8-16(9-7-15)22(28)19-4-2-3-5-20(19)24(30)31-14-21(27)26-18-12-10-17(11-13-18)23(25)29/h2-13H,14H2,1H3,(H2,25,29)(H,26,27)
InChIKeyUAYQIPQSMJAZPB-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.12
Rot. Bonds7

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

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 2605601) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID2605601
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C24H20N2O5/c1-15-6-8-16(9-7-15)22(28)19-4-2-3-5-20(19)24(30)31-14-21(27)26-18-12-10-17(11-13-18)23(25)29/h2-13H,14H2,1H3,(H2,25,29)(H,26,27)
InChIKeyUAYQIPQSMJAZPB-UHFFFAOYSA-N
XLogP3.12
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2078940
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621778
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886
[2-(4-iodoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2335613
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2335269
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2645554
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
[2-(4-carbamoylanilino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4148132

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (CID 2605601) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is UAYQIPQSMJAZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-15-6-8-16(9-7-15)22(28)19-4-2-3-5-20(19)24(30)31-14-21(27)26-18-12-10-17(11-13-18)23(25)29/h2-13H,14H2,1H3,(H2,25,29)(H,26,27).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 416.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 2605601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).