N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide

C13H16N2O2 — CID 102296524

IUPACN-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cn(CO)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-10(17)14-7-6-11-8-15(9-16)13-5-3-2-4-12(11)13/h2-5,8,16H,6-7,9H2,1H3,(H,14,17)
InChIKeyWEMHIRYRJMDJKN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.27
Rot. Bonds4

About N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide

N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide (PubChem CID 102296524) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide
PubChem CID102296524
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cn(CO)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-10(17)14-7-6-11-8-15(9-16)13-5-3-2-4-12(11)13/h2-5,8,16H,6-7,9H2,1H3,(H,14,17)
InChIKeyWEMHIRYRJMDJKN-UHFFFAOYSA-N
XLogP1.27
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
2-acetamido-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 11196581
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
2-hydroxy-N-[2-(1-methoxyindol-3-yl)ethyl]acetamide
CID 69330952
N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide
CID 10740075
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
(3-methylindol-1-yl)methanol
CID 54090827
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421
N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 141008182

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide (CID 102296524) is N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide is CC(=O)NCCc1cn(CO)c2ccccc12.
What is the InChIKey of N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide?
The InChIKey is WEMHIRYRJMDJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(17)14-7-6-11-8-15(9-16)13-5-3-2-4-12(11)13/h2-5,8,16H,6-7,9H2,1H3,(H,14,17).
What are the key properties of N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide?
N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 102296524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).