5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one

C23H28N2O2 — CID 10761290

IUPAC5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C23H28N2O2/c1-25(12-11-16-9-10-21-18(13-16)14-23(26)24-21)15-17-5-3-7-20-19(17)6-4-8-22(20)27-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyBYHTZWPPZDLFLX-KRWDZBQOSA-N
MW364.49 g/mol
LogP3.78
Rot. Bonds6

About 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one

5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one (PubChem CID 10761290) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
PubChem CID10761290
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C23H28N2O2/c1-25(12-11-16-9-10-21-18(13-16)14-23(26)24-21)15-17-5-3-7-20-19(17)6-4-8-22(20)27-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyBYHTZWPPZDLFLX-KRWDZBQOSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one (CID 10761290) is 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is BYHTZWPPZDLFLX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-25(12-11-16-9-10-21-18(13-16)14-23(26)24-21)15-17-5-3-7-20-19(17)6-4-8-22(20)27-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one?
5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10761290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).