2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide

C14H18N2O3 — CID 102913025

IUPAC2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ccc2ccc(CO)cc21
InChIInChI=1S/C14H18N2O3/c1-19-7-5-15-14(18)9-16-6-4-12-3-2-11(10-17)8-13(12)16/h2-4,6,8,17H,5,7,9-10H2,1H3,(H,15,18)
InChIKeySKLLLHATBWIEQO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.90
Rot. Bonds6

About 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide

2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 102913025) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID102913025
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ccc2ccc(CO)cc21
InChIInChI=1S/C14H18N2O3/c1-19-7-5-15-14(18)9-16-6-4-12-3-2-11(10-17)8-13(12)16/h2-4,6,8,17H,5,7,9-10H2,1H3,(H,15,18)
InChIKeySKLLLHATBWIEQO-UHFFFAOYSA-N
XLogP0.90
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102913346
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
CID 102916443
N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide
CID 119764204
N-(1-methoxypropan-2-yl)-2-[6-(methylaminomethyl)indol-1-yl]acetamide
CID 102916591
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
N-(2-methoxyethyl)-2-(7-methoxyindol-1-yl)acetamide
CID 39315359

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide (CID 102913025) is 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1ccc2ccc(CO)cc21.
What is the InChIKey of 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is SKLLLHATBWIEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-7-5-15-14(18)9-16-6-4-12-3-2-11(10-17)8-13(12)16/h2-4,6,8,17H,5,7,9-10H2,1H3,(H,15,18).
What are the key properties of 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 102913025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).