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

C12H14N2O2 — CID 903

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKeyMVAWJSIDNICKHF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.55
Rot. Bonds3

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

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 903) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID903
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKeyMVAWJSIDNICKHF-UHFFFAOYSA-N
XLogP1.55
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide (CID 903) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is MVAWJSIDNICKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).