1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

C20H24N2O2 — CID 6625028

IUPAC1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN(C)Cc3ccccc3)ccc21
InChIInChI=1S/C20H24N2O2/c1-15(23)22-11-10-17-12-18(8-9-19(17)22)20(24)14-21(2)13-16-6-4-3-5-7-16/h3-9,12,20,24H,10-11,13-14H2,1-2H3
InChIKeyMTTPYKQHSMFVID-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.76
Rot. Bonds5

About 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 6625028) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID6625028
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN(C)Cc3ccccc3)ccc21
InChIInChI=1S/C20H24N2O2/c1-15(23)22-11-10-17-12-18(8-9-19(17)22)20(24)14-21(2)13-16-6-4-3-5-7-16/h3-9,12,20,24H,10-11,13-14H2,1-2H3
InChIKeyMTTPYKQHSMFVID-UHFFFAOYSA-N
XLogP2.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]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-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (CID 6625028) is 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(O)CN(C)Cc3ccccc3)ccc21.
What is the InChIKey of 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MTTPYKQHSMFVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(23)22-11-10-17-12-18(8-9-19(17)22)20(24)14-21(2)13-16-6-4-3-5-7-16/h3-9,12,20,24H,10-11,13-14H2,1-2H3.
What are the key properties of 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 6625028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).