[2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate

C28H30N2O4 — CID 2433708

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C28H30N2O4/c1-4-21-14-11-15-22(5-2)26(21)29-25(31)19-34-28(33)24-17-10-9-16-23(24)27(32)30(3)18-20-12-7-6-8-13-20/h6-17H,4-5,18-19H2,1-3H3,(H,29,31)
InChIKeyPLGKLWMAUOWQQE-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.88
Rot. Bonds9

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate (PubChem CID 2433708) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
PubChem CID2433708
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C28H30N2O4/c1-4-21-14-11-15-22(5-2)26(21)29-25(31)19-34-28(33)24-17-10-9-16-23(24)27(32)30(3)18-20-12-7-6-8-13-20/h6-17H,4-5,18-19H2,1-3H3,(H,29,31)
InChIKeyPLGKLWMAUOWQQE-UHFFFAOYSA-N
XLogP4.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
CID 7870324
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
CID 7870382
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
CID 4832205
[2-(2,6-diethylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747216
[2-(2,6-diethylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837716
[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816197
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 23825338
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126330609
[2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 4802880

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate (CID 2433708) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate is CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate?
The InChIKey is PLGKLWMAUOWQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-4-21-14-11-15-22(5-2)26(21)29-25(31)19-34-28(33)24-17-10-9-16-23(24)27(32)30(3)18-20-12-7-6-8-13-20/h6-17H,4-5,18-19H2,1-3H3,(H,29,31).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate has a molecular weight of 458.56 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate is sourced from PubChem (CID 2433708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).