6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one

C17H26N2O2 — CID 81301771

IUPAC6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCCCCN(c1ccc2c(c1)N(C)C(=O)C2O)C(C)CC
InChIInChI=1S/C17H26N2O2/c1-5-7-10-19(12(3)6-2)13-8-9-14-15(11-13)18(4)17(21)16(14)20/h8-9,11-12,16,20H,5-7,10H2,1-4H3
InChIKeyOEHFIEZKMXFPIX-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.10
Rot. Bonds6

About 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one

6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 81301771) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID81301771
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCCCCN(c1ccc2c(c1)N(C)C(=O)C2O)C(C)CC
InChIInChI=1S/C17H26N2O2/c1-5-7-10-19(12(3)6-2)13-8-9-14-15(11-13)18(4)17(21)16(14)20/h8-9,11-12,16,20H,5-7,10H2,1-4H3
InChIKeyOEHFIEZKMXFPIX-UHFFFAOYSA-N
XLogP3.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one (CID 81301771) is 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one is CCCCN(c1ccc2c(c1)N(C)C(=O)C2O)C(C)CC.
What is the InChIKey of 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is OEHFIEZKMXFPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-7-10-19(12(3)6-2)13-8-9-14-15(11-13)18(4)17(21)16(14)20/h8-9,11-12,16,20H,5-7,10H2,1-4H3.
What are the key properties of 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 290.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81301771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).