[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate

C26H25NO4 — CID 7359899

IUPAC[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1C
InChIInChI=1S/C26H25NO4/c1-17-14-19(3)23(15-18(17)2)24(28)16-31-26(30)22-13-9-8-12-21(22)25(29)27(4)20-10-6-5-7-11-20/h5-15H,16H2,1-4H3
InChIKeyNTOLJCCWIIRQNM-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.93
Rot. Bonds6

About [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 7359899) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID7359899
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1C
InChIInChI=1S/C26H25NO4/c1-17-14-19(3)23(15-18(17)2)24(28)16-31-26(30)22-13-9-8-12-21(22)25(29)27(4)20-10-6-5-7-11-20/h5-15H,16H2,1-4H3
InChIKeyNTOLJCCWIIRQNM-UHFFFAOYSA-N
XLogP4.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 46543957
ethyl 3,5-dimethyl-4-[2-[2-[methyl(phenyl)carbamoyl]benzoyl]oxyacetyl]-1H-pyrrole-2-carboxylate
CID 16593074
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 2706272
[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 2685461
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577443
(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 26962039
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510879
heptyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 91720801
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2,5-dimethylbenzoate
CID 2519588
N,2-dimethyl-N-phenylbenzamide
CID 5222383
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 7359915
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510878

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate (CID 7359899) is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate is Cc1cc(C)c(C(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1C.
What is the InChIKey of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is NTOLJCCWIIRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-17-14-19(3)23(15-18(17)2)24(28)16-31-26(30)22-13-9-8-12-21(22)25(29)27(4)20-10-6-5-7-11-20/h5-15H,16H2,1-4H3.
What are the key properties of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 415.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 7359899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).