2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide

C17H25N3O2 — CID 139809913

IUPAC2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc2c(C[C@H](C)N)c[nH]c12
InChIInChI=1S/C17H25N3O2/c1-4-20(5-2)16(21)11-22-15-8-6-7-14-13(9-12(3)18)10-19-17(14)15/h6-8,10,12,19H,4-5,9,11,18H2,1-3H3/t12-/m0/s1
InChIKeyIJLIDEAXTZUTER-LBPRGKRZSA-N
MW303.41 g/mol
LogP2.30
Rot. Bonds7

About 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide

2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide (PubChem CID 139809913) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
PubChem CID139809913
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc2c(C[C@H](C)N)c[nH]c12
InChIInChI=1S/C17H25N3O2/c1-4-20(5-2)16(21)11-22-15-8-6-7-14-13(9-12(3)18)10-19-17(14)15/h6-8,10,12,19H,4-5,9,11,18H2,1-3H3/t12-/m0/s1
InChIKeyIJLIDEAXTZUTER-LBPRGKRZSA-N
XLogP2.30
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
CID 12045561
benzyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
CID 139809915
2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
CID 15605735
N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide
CID 69459178
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
CID 145142398
2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide
CID 115962824
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
[3-[(2R)-2-aminopropyl]-1H-indol-7-yl] thiophene-2-sulfonate
CID 71420491

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide?
The IUPAC name of 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide (CID 139809913) is 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccc2c(C[C@H](C)N)c[nH]c12.
What is the InChIKey of 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide?
The InChIKey is IJLIDEAXTZUTER-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-20(5-2)16(21)11-22-15-8-6-7-14-13(9-12(3)18)10-19-17(14)15/h6-8,10,12,19H,4-5,9,11,18H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide?
2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide has a molecular weight of 303.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide is sourced from PubChem (CID 139809913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).