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

C15H17N3O4 — CID 43036133

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1cc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C15H17N3O4/c1-8-4-9(2)10-6-12(17-11(10)5-8)14(20)22-7-13(19)18-15(21)16-3/h4-6,17H,7H2,1-3H3,(H2,16,18,19,21)
InChIKeyFZLONOOBHAKTSI-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.40
Rot. Bonds3

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

[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate (PubChem CID 43036133) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
PubChem CID43036133
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1cc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C15H17N3O4/c1-8-4-9(2)10-6-12(17-11(10)5-8)14(20)22-7-13(19)18-15(21)16-3/h4-6,17H,7H2,1-3H3,(H2,16,18,19,21)
InChIKeyFZLONOOBHAKTSI-UHFFFAOYSA-N
XLogP1.40
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036106
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46663528
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036110
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46663539
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 42926525
[2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 46428902
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46544929
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
(2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate
CID 146085229
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576910

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate (CID 43036133) is [2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate is CNC(=O)NC(=O)COC(=O)c1cc2c(C)cc(C)cc2[nH]1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
The InChIKey is FZLONOOBHAKTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8-4-9(2)10-6-12(17-11(10)5-8)14(20)22-7-13(19)18-15(21)16-3/h4-6,17H,7H2,1-3H3,(H2,16,18,19,21).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 43036133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).