1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone

C14H21N3O2 — CID 59442016

IUPAC1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone
SMILESCCN(C)CC(=O)N1CCc2cc(OC)c(N)cc21
InChIInChI=1S/C14H21N3O2/c1-4-16(2)9-14(18)17-6-5-10-7-13(19-3)11(15)8-12(10)17/h7-8H,4-6,9,15H2,1-3H3
InChIKeyZZJPPJSXEJZDCW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.12
Rot. Bonds4

About 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone

1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone (PubChem CID 59442016) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone
PubChem CID59442016
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone
SMILESCCN(C)CC(=O)N1CCc2cc(OC)c(N)cc21
InChIInChI=1S/C14H21N3O2/c1-4-16(2)9-14(18)17-6-5-10-7-13(19-3)11(15)8-12(10)17/h7-8H,4-6,9,15H2,1-3H3
InChIKeyZZJPPJSXEJZDCW-UHFFFAOYSA-N
XLogP1.12
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone?
The IUPAC name of 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone (CID 59442016) is 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone is CCN(C)CC(=O)N1CCc2cc(OC)c(N)cc21.
What is the InChIKey of 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone?
The InChIKey is ZZJPPJSXEJZDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16(2)9-14(18)17-6-5-10-7-13(19-3)11(15)8-12(10)17/h7-8H,4-6,9,15H2,1-3H3.
What are the key properties of 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone?
1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone is sourced from PubChem (CID 59442016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).