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

C15H22N2O2 — CID 81309591

IUPAC6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCCC(C)N(CC)c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C15H22N2O2/c1-5-10(3)17(6-2)11-7-8-12-13(9-11)16(4)15(19)14(12)18/h7-10,14,18H,5-6H2,1-4H3
InChIKeyMHEWEFQCILJXRD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.32
Rot. Bonds4

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

6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 81309591) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID81309591
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCCC(C)N(CC)c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C15H22N2O2/c1-5-10(3)17(6-2)11-7-8-12-13(9-11)16(4)15(19)14(12)18/h7-10,14,18H,5-6H2,1-4H3
InChIKeyMHEWEFQCILJXRD-UHFFFAOYSA-N
XLogP2.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.32
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(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one (CID 81309591) is 6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one is CCC(C)N(CC)c1ccc2c(c1)N(C)C(=O)C2O.
What is the InChIKey of 6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is MHEWEFQCILJXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10(3)17(6-2)11-7-8-12-13(9-11)16(4)15(19)14(12)18/h7-10,14,18H,5-6H2,1-4H3.
What are the key properties of 6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81309591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).