2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide

C15H20N2O3 — CID 102912972

IUPAC2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ccc2ccc(CO)cc21
InChIInChI=1S/C15H20N2O3/c1-20-8-2-6-16-15(19)10-17-7-5-13-4-3-12(11-18)9-14(13)17/h3-5,7,9,18H,2,6,8,10-11H2,1H3,(H,16,19)
InChIKeyZNIUBSMKLPZRPY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.29
Rot. Bonds7

About 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide

2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 102912972) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID102912972
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ccc2ccc(CO)cc21
InChIInChI=1S/C15H20N2O3/c1-20-8-2-6-16-15(19)10-17-7-5-13-4-3-12(11-18)9-14(13)17/h3-5,7,9,18H,2,6,8,10-11H2,1H3,(H,16,19)
InChIKeyZNIUBSMKLPZRPY-UHFFFAOYSA-N
XLogP1.29
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102913346
1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methylpyrrole-3-carboxylic acid
CID 114189448
2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
CID 102916443
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide (CID 102912972) is 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1ccc2ccc(CO)cc21.
What is the InChIKey of 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is ZNIUBSMKLPZRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-8-2-6-16-15(19)10-17-7-5-13-4-3-12(11-18)9-14(13)17/h3-5,7,9,18H,2,6,8,10-11H2,1H3,(H,16,19).
What are the key properties of 2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.29, 7 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-(3-methoxypropyl)acetamide is sourced from PubChem (CID 102912972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).