[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium

C19H28N3O5+ — CID 2002344

IUPAC[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
SMILESCCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+](CC)CC
InChIInChI=1S/C19H27N3O5/c1-6-22(7-2)11-16(23)21-17-12-9-14(25-4)15(26-5)10-13(12)20-18(17)19(24)27-8-3/h9-10,20H,6-8,11H2,1-5H3,(H,21,23)/p+1
InChIKeyLJWRVFHRFRFEPV-UHFFFAOYSA-O
MW378.45 g/mol
LogP1.23
Rot. Bonds9

About [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium

[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium (PubChem CID 2002344) has the molecular formula C19H28N3O5+ and a molecular weight of 378.45 g/mol. Its IUPAC name is [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium.

Molecular Properties

Compound Name[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
PubChem CID2002344
Molecular FormulaC19H28N3O5+
Molecular Weight378.45 g/mol
Exact Mass378.20
IUPAC Name[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
SMILESCCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+](CC)CC
InChIInChI=1S/C19H27N3O5/c1-6-22(7-2)11-16(23)21-17-12-9-14(25-4)15(26-5)10-13(12)20-18(17)19(24)27-8-3/h9-10,20H,6-8,11H2,1-5H3,(H,21,23)/p+1
InChIKeyLJWRVFHRFRFEPV-UHFFFAOYSA-O
XLogP1.23
TPSA94.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium with MolForge

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Related Compounds

[2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 6944330
4-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-4-oxobutanoic acid
CID 20885070
cyclohexyl-[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium
CID 2009886
[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 3714986
ethyl 5,6-dimethoxy-3-[3-[(3S)-3-methylpiperidin-1-yl]propanoylamino]-1H-indole-2-carboxylate
CID 7474743
ethyl 3-[[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate
CID 3948164
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 663337
ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
CID 10660135
[2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 6954169
ethyl 5,6-dimethoxy-3-[2-(3-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate
CID 5147022
ethyl 5,6-dimethoxy-3-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propanoyl]amino]-1H-indole-2-carboxylate
CID 6355175
ethyl 5,6-dimethoxy-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate
CID 3782807

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium?
The IUPAC name of [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium (CID 2002344) is [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium.
What is the SMILES notation for [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium?
The canonical SMILES for [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium is CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+](CC)CC.
What is the InChIKey of [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium?
The InChIKey is LJWRVFHRFRFEPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N3O5/c1-6-22(7-2)11-16(23)21-17-12-9-14(25-4)15(26-5)10-13(12)20-18(17)19(24)27-8-3/h9-10,20H,6-8,11H2,1-5H3,(H,21,23)/p+1.
What are the key properties of [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium?
[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium has a molecular weight of 378.45 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium is sourced from PubChem (CID 2002344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).