2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide

C15H23N3O — CID 61490206

IUPAC2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1CCc2ccc(N)cc21
InChIInChI=1S/C15H23N3O/c1-3-4-11(2)17-15(19)10-18-8-7-12-5-6-13(16)9-14(12)18/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyFHSVGSTZCWOOMJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.94
Rot. Bonds5

About 2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide

2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide (PubChem CID 61490206) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide
PubChem CID61490206
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1CCc2ccc(N)cc21
InChIInChI=1S/C15H23N3O/c1-3-4-11(2)17-15(19)10-18-8-7-12-5-6-13(16)9-14(12)18/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyFHSVGSTZCWOOMJ-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide (CID 61490206) is 2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN1CCc2ccc(N)cc21.
What is the InChIKey of 2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is FHSVGSTZCWOOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-4-11(2)17-15(19)10-18-8-7-12-5-6-13(16)9-14(12)18/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide?
2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 261.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 61490206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).