[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

C17H21N3O5 — CID 41120693

IUPAC[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H21N3O5/c1-10-11(2)19-14-5-4-12(8-13(10)14)16(22)25-9-15(21)20-17(23)18-6-7-24-3/h4-5,8,19H,6-7,9H2,1-3H3,(H2,18,20,21,23)
InChIKeyQOAHKPIFYQMANY-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.41
Rot. Bonds6

About [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (PubChem CID 41120693) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
PubChem CID41120693
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H21N3O5/c1-10-11(2)19-14-5-4-12(8-13(10)14)16(22)25-9-15(21)20-17(23)18-6-7-24-3/h4-5,8,19H,6-7,9H2,1-3H3,(H2,18,20,21,23)
InChIKeyQOAHKPIFYQMANY-UHFFFAOYSA-N
XLogP1.41
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 9113754
(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 18099294
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 9111860
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-iodobenzoate
CID 16522270
[2-(3-chloroanilino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120769
[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080215
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8892731
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120554
[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120730
N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30503002
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (CID 41120693) is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The canonical SMILES for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate is COCCNC(=O)NC(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The InChIKey is QOAHKPIFYQMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-10-11(2)19-14-5-4-12(8-13(10)14)16(22)25-9-15(21)20-17(23)18-6-7-24-3/h4-5,8,19H,6-7,9H2,1-3H3,(H2,18,20,21,23).
What are the key properties of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate is sourced from PubChem (CID 41120693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).