2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide

C13H19N3O — CID 114456671

IUPAC2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCc2cccc(N)c21
InChIInChI=1S/C13H19N3O/c1-3-15(2)12(17)9-16-8-7-10-5-4-6-11(14)13(10)16/h4-6H,3,7-9,14H2,1-2H3
InChIKeyRLCDCROSGKZIFW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.11
Rot. Bonds3

About 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide

2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 114456671) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
PubChem CID114456671
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCc2cccc(N)c21
InChIInChI=1S/C13H19N3O/c1-3-15(2)12(17)9-16-8-7-10-5-4-6-11(14)13(10)16/h4-6H,3,7-9,14H2,1-2H3
InChIKeyRLCDCROSGKZIFW-UHFFFAOYSA-N
XLogP1.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide (CID 114456671) is 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1CCc2cccc(N)c21.
What is the InChIKey of 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is RLCDCROSGKZIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-15(2)12(17)9-16-8-7-10-5-4-6-11(14)13(10)16/h4-6H,3,7-9,14H2,1-2H3.
What are the key properties of 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide?
2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 114456671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).