[3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride

C17H26ClN3O3 — CID 44661820

IUPAC[3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride
SMILESCC(C)(C)[NH2+]CC(O)COc1cccc2[nH]cc(CC(N)=O)c12.[Cl-]
InChIInChI=1S/C17H25N3O3.ClH/c1-17(2,3)20-9-12(21)10-23-14-6-4-5-13-16(14)11(8-19-13)7-15(18)22;/h4-6,8,12,19-21H,7,9-10H2,1-3H3,(H2,18,22);1H
InChIKeyLHJMOEQOSOPHTI-UHFFFAOYSA-N
MW355.87 g/mol
LogP-2.70
Rot. Bonds7

About [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride

[3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride (PubChem CID 44661820) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride.

Molecular Properties

Compound Name[3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride
PubChem CID44661820
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name[3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride
SMILESCC(C)(C)[NH2+]CC(O)COc1cccc2[nH]cc(CC(N)=O)c12.[Cl-]
InChIInChI=1S/C17H25N3O3.ClH/c1-17(2,3)20-9-12(21)10-23-14-6-4-5-13-16(14)11(8-19-13)7-15(18)22;/h4-6,8,12,19-21H,7,9-10H2,1-3H3,(H2,18,22);1H
InChIKeyLHJMOEQOSOPHTI-UHFFFAOYSA-N
XLogP-2.70
TPSA104.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 5-2.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride with MolForge

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Related Compounds

tert-butyl-[(2R)-2-hydroxy-3-[[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]-1H-indol-4-yl]oxy]propyl]azanium
CID 7125287
tert-butyl-[(2R)-2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]azanium
CID 7085884
tert-butyl-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 25271750
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
tert-butyl-[(2S)-2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]azanium
CID 86308572
methyl 2-[4-[(2R)-3-[tert-butyl-[(4-nitrophenyl)methyl]amino]-2-hydroxypropoxy]-1H-indol-3-yl]acetate
CID 1422957
4-ethoxy-3-ethyl-1H-indole
CID 171816854
[(2R)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-tert-butylazanium
CID 7025134
tert-butyl-[2-hydroxy-3-(2-methyl-1-oxoisoquinolin-4-yl)oxypropyl]azanium
CID 24849130
2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide
CID 125419727
2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide
CID 167900172

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride?
The IUPAC name of [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride (CID 44661820) is [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride.
What is the SMILES notation for [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride?
The canonical SMILES for [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride is CC(C)(C)[NH2+]CC(O)COc1cccc2[nH]cc(CC(N)=O)c12.[Cl-].
What is the InChIKey of [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride?
The InChIKey is LHJMOEQOSOPHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-17(2,3)20-9-12(21)10-23-14-6-4-5-13-16(14)11(8-19-13)7-15(18)22;/h4-6,8,12,19-21H,7,9-10H2,1-3H3,(H2,18,22);1H.
What are the key properties of [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride?
[3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride has a molecular weight of 355.87 g/mol, XLogP of -2.70, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride is sourced from PubChem (CID 44661820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).