3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

C15H18N2O2 — CID 110849538

IUPAC3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-10-12-6-2-3-7-13(12)17-14(10)15(18)16-9-11-5-4-8-19-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyMNOIZGPGOFJTOC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds3

About 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 110849538) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID110849538
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-10-12-6-2-3-7-13(12)17-14(10)15(18)16-9-11-5-4-8-19-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyMNOIZGPGOFJTOC-UHFFFAOYSA-N
XLogP2.39
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 113205264
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
5-(azepan-1-ylsulfonyl)-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 11683177
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 3383149
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
(1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94677104
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4550261

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (CID 110849538) is 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is Cc1c(C(=O)NCC2CCCO2)[nH]c2ccccc12.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is MNOIZGPGOFJTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-12-6-2-3-7-13(12)17-14(10)15(18)16-9-11-5-4-8-19-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,16,18).
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 110849538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).