3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride

C24H35ClN4O2 — CID 158992514

IUPAC3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
SMILESC.CC(=O)NCCc1c[nH]c2ccc(C)cc12.Cl.NCCc1c[nH]c2ccc(O)cc12.[H][2H]
InChIInChI=1S/C13H16N2O.C10H12N2O.CH4.ClH.H2/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;;;/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);1-2,5-6,12-13H,3-4,11H2;1H4;2*1H/i;;;;1+1
InChIKeyNKBUZILJROCOMF-RCUQKECRSA-N
MW448.03 g/mol
LogP4.83
Rot. Bonds5

About 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride

3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride (PubChem CID 158992514) has the molecular formula C24H35ClN4O2 and a molecular weight of 448.03 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
PubChem CID158992514
Molecular FormulaC24H35ClN4O2
Molecular Weight448.03 g/mol
Exact Mass447.25
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
SMILESC.CC(=O)NCCc1c[nH]c2ccc(C)cc12.Cl.NCCc1c[nH]c2ccc(O)cc12.[H][2H]
InChIInChI=1S/C13H16N2O.C10H12N2O.CH4.ClH.H2/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;;;/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);1-2,5-6,12-13H,3-4,11H2;1H4;2*1H/i;;;;1+1
InChIKeyNKBUZILJROCOMF-RCUQKECRSA-N
XLogP4.83
TPSA106.93 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.03
LogP ≤ 54.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide
CID 160522251
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6734996
2-amino-N-[2-[[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 3344323
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
CID 67100143
(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 171042317
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
N-[1,1,2,2-tetradeuterio-2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
CID 76974080

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride (CID 158992514) is 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride is C.CC(=O)NCCc1c[nH]c2ccc(C)cc12.Cl.NCCc1c[nH]c2ccc(O)cc12.[H][2H].
What is the InChIKey of 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride?
The InChIKey is NKBUZILJROCOMF-RCUQKECRSA-N. The full InChI is InChI=1S/C13H16N2O.C10H12N2O.CH4.ClH.H2/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;;;/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);1-2,5-6,12-13H,3-4,11H2;1H4;2*1H/i;;;;1+1.
What are the key properties of 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride?
3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride has a molecular weight of 448.03 g/mol, XLogP of 4.83, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 158992514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).