2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C16H20N2O2 — CID 5097658

IUPAC2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1cc(CC(=O)NCC2CCCO2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-18-11-12(14-6-2-3-7-15(14)18)9-16(19)17-10-13-5-4-8-20-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyPXKXLDZIWXKXIQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.02
Rot. Bonds4

About 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 5097658) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID5097658
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1cc(CC(=O)NCC2CCCO2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-18-11-12(14-6-2-3-7-15(14)18)9-16(19)17-10-13-5-4-8-20-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyPXKXLDZIWXKXIQ-UHFFFAOYSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)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

Ruboxistaurin
CID 153999
Bisindolylmaleimide VIII
CID 2403
Iron oxide, spent
CID 5327711
Indole-3-glyoxylamide, N-isopropyl-1-methyl-
CID 41501
Indole-3-acetyl-L-leucine
CID 3945661
3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione
CID 11560568
Tryptophyl-proline
CID 14409732
1-Methyl-3-(1-methyl-1H-indol-3-yl)-4-(pentylamino)-1H-pyrrole-2,5-dione
CID 16760577
(Arylindolyl)maleimide deriv. 13
CID 5327655
3-(1-methyl-1H-indol-3-yl)-4-(1-propyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327657
3-(1,2-dimethyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327698
3-(1-methyl-1H-indol-3-yl)-4-(3-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327706

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 5097658) is 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cn1cc(CC(=O)NCC2CCCO2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PXKXLDZIWXKXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-11-12(14-6-2-3-7-15(14)18)9-16(19)17-10-13-5-4-8-20-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,17,19).
What are the key properties of 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 5097658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).