1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione

C18H26N2O3 — CID 52579710

IUPAC1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(CN(CC(C)C)CC(C)C)C(=O)C2=O
InChIInChI=1S/C18H26N2O3/c1-12(2)9-19(10-13(3)4)11-20-16-8-14(23-5)6-7-15(16)17(21)18(20)22/h6-8,12-13H,9-11H2,1-5H3
InChIKeySUCXMDMMANJEFI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.80
Rot. Bonds7

About 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione

1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione (PubChem CID 52579710) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione.

Molecular Properties

Compound Name1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione
PubChem CID52579710
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(CN(CC(C)C)CC(C)C)C(=O)C2=O
InChIInChI=1S/C18H26N2O3/c1-12(2)9-19(10-13(3)4)11-20-16-8-14(23-5)6-7-15(16)17(21)18(20)22/h6-8,12-13H,9-11H2,1-5H3
InChIKeySUCXMDMMANJEFI-UHFFFAOYSA-N
XLogP2.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione?
The IUPAC name of 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione (CID 52579710) is 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione.
What is the SMILES notation for 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione?
The canonical SMILES for 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione is COc1ccc2c(c1)N(CN(CC(C)C)CC(C)C)C(=O)C2=O.
What is the InChIKey of 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione?
The InChIKey is SUCXMDMMANJEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)9-19(10-13(3)4)11-20-16-8-14(23-5)6-7-15(16)17(21)18(20)22/h6-8,12-13H,9-11H2,1-5H3.
What are the key properties of 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione?
1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione has a molecular weight of 318.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione is sourced from PubChem (CID 52579710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).