3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C17H22N2O2 — CID 96557796

IUPAC3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCn1cc(CCC(=O)NC[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-12-13(15-6-2-3-7-16(15)19)8-9-17(20)18-11-14-5-4-10-21-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyZGRIECQERWUYTI-CQSZACIVSA-N
MW286.38 g/mol
LogP2.41
Rot. Bonds5

About 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 96557796) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID96557796
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCn1cc(CCC(=O)NC[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-12-13(15-6-2-3-7-16(15)19)8-9-17(20)18-11-14-5-4-10-21-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyZGRIECQERWUYTI-CQSZACIVSA-N
XLogP2.41
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 96557796) is 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is Cn1cc(CCC(=O)NC[C@H]2CCCO2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is ZGRIECQERWUYTI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-12-13(15-6-2-3-7-16(15)19)8-9-17(20)18-11-14-5-4-10-21-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 96557796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).