4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide

C14H21N3O — CID 83213045

IUPAC4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCN1CCc2cc(C)c(N)cc21
InChIInChI=1S/C14H21N3O/c1-10-8-11-5-7-17(13(11)9-12(10)15)6-3-4-14(18)16-2/h8-9H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyYYMSNNAJUPJJGG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.47
Rot. Bonds4

About 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide

4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide (PubChem CID 83213045) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide
PubChem CID83213045
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCN1CCc2cc(C)c(N)cc21
InChIInChI=1S/C14H21N3O/c1-10-8-11-5-7-17(13(11)9-12(10)15)6-3-4-14(18)16-2/h8-9H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyYYMSNNAJUPJJGG-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.47
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 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide (CID 83213045) is 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide is CNC(=O)CCCN1CCc2cc(C)c(N)cc21.
What is the InChIKey of 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide?
The InChIKey is YYMSNNAJUPJJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-11-5-7-17(13(11)9-12(10)15)6-3-4-14(18)16-2/h8-9H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide?
4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide has a molecular weight of 247.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 83213045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).