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

C15H20N3O3+ — CID 6954169

IUPAC[2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+](C)C
InChIInChI=1S/C15H19N3O3/c1-4-21-15(20)14-13(17-12(19)9-18(2)3)10-7-5-6-8-11(10)16-14/h5-8,16H,4,9H2,1-3H3,(H,17,19)/p+1
InChIKeyGIQZKILDGPDKKW-UHFFFAOYSA-O
MW290.34 g/mol
LogP0.43
Rot. Bonds5

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

[2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium (PubChem CID 6954169) has the molecular formula C15H20N3O3+ and a molecular weight of 290.34 g/mol. Its IUPAC name is [2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
PubChem CID6954169
Molecular FormulaC15H20N3O3+
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name[2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+](C)C
InChIInChI=1S/C15H19N3O3/c1-4-21-15(20)14-13(17-12(19)9-18(2)3)10-7-5-6-8-11(10)16-14/h5-8,16H,4,9H2,1-3H3,(H,17,19)/p+1
InChIKeyGIQZKILDGPDKKW-UHFFFAOYSA-O
XLogP0.43
TPSA75.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 3714986
ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate
CID 2157344
[2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 6944330
cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium
CID 6955314
ethyl 3-[(4-nitrobenzoyl)amino]-1H-indole-2-carboxylate
CID 4179988
(2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 7576620
[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 2002344
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
ethyl 3-[(2,5-dimethoxyphenyl)carbamothioylamino]-1H-indole-2-carboxylate
CID 2157265
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium?
The IUPAC name of [2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium (CID 6954169) is [2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for [2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium?
The canonical SMILES for [2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium is CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+](C)C.
What is the InChIKey of [2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium?
The InChIKey is GIQZKILDGPDKKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N3O3/c1-4-21-15(20)14-13(17-12(19)9-18(2)3)10-7-5-6-8-11(10)16-14/h5-8,16H,4,9H2,1-3H3,(H,17,19)/p+1.
What are the key properties of [2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium?
[2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium has a molecular weight of 290.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 6954169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).