2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide

C19H22N2O3 — CID 54810775

IUPAC2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cccc(NC(=O)CN2CCc3ccccc32)c1
InChIInChI=1S/C19H22N2O3/c1-23-11-12-24-17-7-4-6-16(13-17)20-19(22)14-21-10-9-15-5-2-3-8-18(15)21/h2-8,13H,9-12,14H2,1H3,(H,20,22)
InChIKeyOHLMRHPEUVDSQM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.71
Rot. Bonds7

About 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide

2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 54810775) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
PubChem CID54810775
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cccc(NC(=O)CN2CCc3ccccc32)c1
InChIInChI=1S/C19H22N2O3/c1-23-11-12-24-17-7-4-6-16(13-17)20-19(22)14-21-10-9-15-5-2-3-8-18(15)21/h2-8,13H,9-12,14H2,1H3,(H,20,22)
InChIKeyOHLMRHPEUVDSQM-UHFFFAOYSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide (CID 54810775) is 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide is COCCOc1cccc(NC(=O)CN2CCc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is OHLMRHPEUVDSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-11-12-24-17-7-4-6-16(13-17)20-19(22)14-21-10-9-15-5-2-3-8-18(15)21/h2-8,13H,9-12,14H2,1H3,(H,20,22).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54810775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).