2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide

C15H18N2O2 — CID 5125884

IUPAC2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccccc21)NCC1CCCO1
InChIInChI=1S/C15H18N2O2/c18-15(16-10-13-5-3-9-19-13)11-17-8-7-12-4-1-2-6-14(12)17/h1-2,4,6-8,13H,3,5,9-11H2,(H,16,18)
InChIKeyBXROSKYXVSUEHQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.94
Rot. Bonds4

About 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide

2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 5125884) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID5125884
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccccc21)NCC1CCCO1
InChIInChI=1S/C15H18N2O2/c18-15(16-10-13-5-3-9-19-13)11-17-8-7-12-4-1-2-6-14(12)17/h1-2,4,6-8,13H,3,5,9-11H2,(H,16,18)
InChIKeyBXROSKYXVSUEHQ-UHFFFAOYSA-N
XLogP1.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 78882935
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
oxan-2-ylmethyl 2-indol-1-ylacetate
CID 87044522
N-[[(2R)-oxolan-2-yl]methyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]acetamide
CID 164637207
2-(8-fluoro-4-oxoquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43833017
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
N-(oxolan-2-ylmethyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 4212528
N-[[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029337
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17033154
2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 668670

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide (CID 5125884) is 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1ccc2ccccc21)NCC1CCCO1.
What is the InChIKey of 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is BXROSKYXVSUEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(16-10-13-5-3-9-19-13)11-17-8-7-12-4-1-2-6-14(12)17/h1-2,4,6-8,13H,3,5,9-11H2,(H,16,18).
What are the key properties of 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide?
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 5125884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).