2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

C17H20N2O3 — CID 94136572

IUPAC2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C17H20N2O3/c1-10(14-8-5-9-22-14)19-17(21)16(20)15-11(2)18-13-7-4-3-6-12(13)15/h3-4,6-7,10,14,18H,5,8-9H2,1-2H3,(H,19,21)/t10-,14-/m1/s1
InChIKeyBUVMYRYXDINNQW-QMTHXVAHSA-N
MW300.36 g/mol
LogP2.34
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (PubChem CID 94136572) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
PubChem CID94136572
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C17H20N2O3/c1-10(14-8-5-9-22-14)19-17(21)16(20)15-11(2)18-13-7-4-3-6-12(13)15/h3-4,6-7,10,14,18H,5,8-9H2,1-2H3,(H,19,21)/t10-,14-/m1/s1
InChIKeyBUVMYRYXDINNQW-QMTHXVAHSA-N
XLogP2.34
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154773
N-[1-(oxolan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581991
1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95616346
2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 7117468
N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
CID 47229364
2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide
CID 46604852
2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide
CID 52513385
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 43070112
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 30902394
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (CID 94136572) is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)[C@H]1CCCO1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is BUVMYRYXDINNQW-QMTHXVAHSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10(14-8-5-9-22-14)19-17(21)16(20)15-11(2)18-13-7-4-3-6-12(13)15/h3-4,6-7,10,14,18H,5,8-9H2,1-2H3,(H,19,21)/t10-,14-/m1/s1.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 94136572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).