N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide

C13H16N2O4 — CID 123840111

IUPACN-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC(O)c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H16N2O4/c1-19-7-13(18)15-6-12(17)10-5-14-11-3-2-8(16)4-9(10)11/h2-5,12,14,16-17H,6-7H2,1H3,(H,15,18)
InChIKeyAHQKAISWFLGMAP-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.67
Rot. Bonds5

About N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide

N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide (PubChem CID 123840111) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide
PubChem CID123840111
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC(O)c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H16N2O4/c1-19-7-13(18)15-6-12(17)10-5-14-11-3-2-8(16)4-9(10)11/h2-5,12,14,16-17H,6-7H2,1H3,(H,15,18)
InChIKeyAHQKAISWFLGMAP-UHFFFAOYSA-N
XLogP0.67
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
2-(5-hydroxy-1H-indol-3-yl)propanedioic acid
CID 91074600
2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide
CID 70960358
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
CID 155565501
3-[2-amino-1-(ethylamino)ethyl]-1H-indol-5-ol
CID 141212916
3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide
CID 83280081
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanoate;hydrochloride
CID 69317062
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 N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide (CID 123840111) is N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide is COCC(=O)NCC(O)c1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide?
The InChIKey is AHQKAISWFLGMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-7-13(18)15-6-12(17)10-5-14-11-3-2-8(16)4-9(10)11/h2-5,12,14,16-17H,6-7H2,1H3,(H,15,18).
What are the key properties of N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide?
N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide has a molecular weight of 264.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 123840111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).