[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium

C16H22N3O3+ — CID 3714986

IUPAC[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+](C)C
InChIInChI=1S/C16H21N3O3/c1-5-22-16(21)15-14(18-13(20)9-19(3)4)11-8-10(2)6-7-12(11)17-15/h6-8,17H,5,9H2,1-4H3,(H,18,20)/p+1
InChIKeyYNPCPMLMJNSOTQ-UHFFFAOYSA-O
MW304.37 g/mol
LogP0.74
Rot. Bonds5

About [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium

[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium (PubChem CID 3714986) has the molecular formula C16H22N3O3+ and a molecular weight of 304.37 g/mol. Its IUPAC name is [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
PubChem CID3714986
Molecular FormulaC16H22N3O3+
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+](C)C
InChIInChI=1S/C16H21N3O3/c1-5-22-16(21)15-14(18-13(20)9-19(3)4)11-8-10(2)6-7-12(11)17-15/h6-8,17H,5,9H2,1-4H3,(H,18,20)/p+1
InChIKeyYNPCPMLMJNSOTQ-UHFFFAOYSA-O
XLogP0.74
TPSA75.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 6954169
ethyl 5-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate
CID 6944323
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
[2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 6944330
ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate
CID 1388374
[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 2002344
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701
ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
CID 938498
cyclohexyl-[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium
CID 2009886
ethyl 5-fluoro-3-[(2-morpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate
CID 6944328
methyl 5-methyl-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate
CID 7380780

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium?
The IUPAC name of [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium (CID 3714986) is [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium?
The canonical SMILES for [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium is CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+](C)C.
What is the InChIKey of [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium?
The InChIKey is YNPCPMLMJNSOTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3O3/c1-5-22-16(21)15-14(18-13(20)9-19(3)4)11-8-10(2)6-7-12(11)17-15/h6-8,17H,5,9H2,1-4H3,(H,18,20)/p+1.
What are the key properties of [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium?
[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium has a molecular weight of 304.37 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 3714986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).