[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

C22H24N2O6 — CID 46663528

IUPAC[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCOc1cc(NC(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O6/c1-12-6-13(2)15-10-17(24-16(15)7-12)22(26)30-11-20(25)23-14-8-18(27-3)21(29-5)19(9-14)28-4/h6-10,24H,11H2,1-5H3,(H,23,25)
InChIKeyHJPFTOMIUQWWLU-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.61
Rot. Bonds7

About [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate (PubChem CID 46663528) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate
PubChem CID46663528
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCOc1cc(NC(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O6/c1-12-6-13(2)15-10-17(24-16(15)7-12)22(26)30-11-20(25)23-14-8-18(27-3)21(29-5)19(9-14)28-4/h6-10,24H,11H2,1-5H3,(H,23,25)
InChIKeyHJPFTOMIUQWWLU-UHFFFAOYSA-N
XLogP3.61
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036106
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036110
[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036133
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471213
[2-(benzylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471138
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46663539
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2597459
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,5-dichlorobenzoate
CID 2487542
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584334
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2498004
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519534

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate (CID 46663528) is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate is COc1cc(NC(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The InChIKey is HJPFTOMIUQWWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-12-6-13(2)15-10-17(24-16(15)7-12)22(26)30-11-20(25)23-14-8-18(27-3)21(29-5)19(9-14)28-4/h6-10,24H,11H2,1-5H3,(H,23,25).
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate has a molecular weight of 412.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 46663528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).