4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide

C13H19N3O — CID 63892508

IUPAC4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCN1CCc2cc(N)ccc21
InChIInChI=1S/C13H19N3O/c1-15-13(17)3-2-7-16-8-6-10-9-11(14)4-5-12(10)16/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,17)
InChIKeyBKGGIKTXVQJZFO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.16
Rot. Bonds4

About 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide

4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide (PubChem CID 63892508) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide
PubChem CID63892508
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCN1CCc2cc(N)ccc21
InChIInChI=1S/C13H19N3O/c1-15-13(17)3-2-7-16-8-6-10-9-11(14)4-5-12(10)16/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,17)
InChIKeyBKGGIKTXVQJZFO-UHFFFAOYSA-N
XLogP1.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide (CID 63892508) is 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide is CNC(=O)CCCN1CCc2cc(N)ccc21.
What is the InChIKey of 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide?
The InChIKey is BKGGIKTXVQJZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-13(17)3-2-7-16-8-6-10-9-11(14)4-5-12(10)16/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,17).
What are the key properties of 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide?
4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide has a molecular weight of 233.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 63892508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).