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

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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).