[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate

C21H20N2O5 — CID 43036106

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1
InChIInChI=1S/C21H20N2O5/c1-12-8-13(2)16-10-18(23-17(16)9-12)21(26)28-11-19(24)22-15-6-4-14(5-7-15)20(25)27-3/h4-10,23H,11H2,1-3H3,(H,22,24)
InChIKeyCEKAZNYVDWZHQL-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.37
Rot. Bonds5

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

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate (PubChem CID 43036106) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
PubChem CID43036106
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1
InChIInChI=1S/C21H20N2O5/c1-12-8-13(2)16-10-18(23-17(16)9-12)21(26)28-11-19(24)22-15-6-4-14(5-7-15)20(25)27-3/h4-10,23H,11H2,1-3H3,(H,22,24)
InChIKeyCEKAZNYVDWZHQL-UHFFFAOYSA-N
XLogP3.37
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46663528
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471213
[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036133
[2-(benzylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471138
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46663539
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 7749602
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
[2-(4-fluoroanilino)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472999
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847451
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 23938766

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate (CID 43036106) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate is COC(=O)c1ccc(NC(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The InChIKey is CEKAZNYVDWZHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-12-8-13(2)16-10-18(23-17(16)9-12)21(26)28-11-19(24)22-15-6-4-14(5-7-15)20(25)27-3/h4-10,23H,11H2,1-3H3,(H,22,24).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 43036106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).