5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one

C23H26N2O3 — CID 67875763

IUPAC5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one
SMILESCN(CCc1ccc2c(c1)CC(=O)N2)C[C@@H]1CCCc2c1ccc1c2OCO1
InChIInChI=1S/C23H26N2O3/c1-25(10-9-15-5-7-20-17(11-15)12-22(26)24-20)13-16-3-2-4-19-18(16)6-8-21-23(19)28-14-27-21/h5-8,11,16H,2-4,9-10,12-14H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyNCRVQMCQFKOTJP-INIZCTEOSA-N
MW378.47 g/mol
LogP3.50
Rot. Bonds5

About 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one

5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one (PubChem CID 67875763) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one
PubChem CID67875763
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one
SMILESCN(CCc1ccc2c(c1)CC(=O)N2)C[C@@H]1CCCc2c1ccc1c2OCO1
InChIInChI=1S/C23H26N2O3/c1-25(10-9-15-5-7-20-17(11-15)12-22(26)24-20)13-16-3-2-4-19-18(16)6-8-21-23(19)28-14-27-21/h5-8,11,16H,2-4,9-10,12-14H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyNCRVQMCQFKOTJP-INIZCTEOSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine
CID 67875847
(5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 10545056
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 19098466
5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
CID 115257043
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one
CID 19098585
N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
CID 115195045
5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one
CID 164994429
2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098393
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-benzoxathiin-3-one
CID 19098488
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-1,4-benzothiazin-2-one
CID 19098406
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
2-hydroxy-N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 115140167

Frequently Asked Questions

What is the IUPAC name of 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one (CID 67875763) is 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one is CN(CCc1ccc2c(c1)CC(=O)N2)C[C@@H]1CCCc2c1ccc1c2OCO1.
What is the InChIKey of 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is NCRVQMCQFKOTJP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-25(10-9-15-5-7-20-17(11-15)12-22(26)24-20)13-16-3-2-4-19-18(16)6-8-21-23(19)28-14-27-21/h5-8,11,16H,2-4,9-10,12-14H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one?
5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 67875763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).