N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide

C18H20N4O3 — CID 122684754

IUPACN-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(OCCOc3cnccn3)cc12
InChIInChI=1S/C18H20N4O3/c1-13(23)20-5-4-14-11-22-17-3-2-15(10-16(14)17)24-8-9-25-18-12-19-6-7-21-18/h2-3,6-7,10-12,22H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyQHUJSCQUIJBJDD-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.09
Rot. Bonds8

About N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide

N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide (PubChem CID 122684754) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide
PubChem CID122684754
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(OCCOc3cnccn3)cc12
InChIInChI=1S/C18H20N4O3/c1-13(23)20-5-4-14-11-22-17-3-2-15(10-16(14)17)24-8-9-25-18-12-19-6-7-21-18/h2-3,6-7,10-12,22H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyQHUJSCQUIJBJDD-UHFFFAOYSA-N
XLogP2.09
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
1-[2-[5-[2-[(2-chloro-4-pyridinyl)oxy]ethoxy]-1H-indol-3-yl]ethyl]-3-methylurea
CID 122698024
5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide
CID 167870343
N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide
CID 901727
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-phenylprop-2-enoate
CID 121289344
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide (CID 122684754) is N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2ccc(OCCOc3cnccn3)cc12.
What is the InChIKey of N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is QHUJSCQUIJBJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(23)20-5-4-14-11-22-17-3-2-15(10-16(14)17)24-8-9-25-18-12-19-6-7-21-18/h2-3,6-7,10-12,22H,4-5,8-9H2,1H3,(H,20,23).
What are the key properties of N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 122684754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).