[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate

C23H26N2O5 — CID 43036110

IUPAC[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1OC
InChIInChI=1S/C23H26N2O5/c1-14-9-15(2)17-12-19(25-18(17)10-14)23(27)30-13-22(26)24-8-7-16-5-6-20(28-3)21(11-16)29-4/h5-6,9-12,25H,7-8,13H2,1-4H3,(H,24,26)
InChIKeyAJLIVJDYHAZOEN-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.32
Rot. Bonds8

About [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate (PubChem CID 43036110) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
PubChem CID43036110
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1OC
InChIInChI=1S/C23H26N2O5/c1-14-9-15(2)17-12-19(25-18(17)10-14)23(27)30-13-22(26)24-8-7-16-5-6-20(28-3)21(11-16)29-4/h5-6,9-12,25H,7-8,13H2,1-4H3,(H,24,26)
InChIKeyAJLIVJDYHAZOEN-UHFFFAOYSA-N
XLogP3.32
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate with MolForge

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Related Compounds

[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] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46663528
[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036133
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 2607192
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815174
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502549
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoate
CID 4995377
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036106
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18151669
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418949
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1157171

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate (CID 43036110) is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The canonical SMILES for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate is COc1ccc(CCNC(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1OC.
What is the InChIKey of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The InChIKey is AJLIVJDYHAZOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14-9-15(2)17-12-19(25-18(17)10-14)23(27)30-13-22(26)24-8-7-16-5-6-20(28-3)21(11-16)29-4/h5-6,9-12,25H,7-8,13H2,1-4H3,(H,24,26).
What are the key properties of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 43036110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).