3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one

C19H22N2O2 — CID 141465881

IUPAC3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one
SMILESCCCCC1(O)C(=O)Nc2ccc(Nc3ccc(C)cc3)cc21
InChIInChI=1S/C19H22N2O2/c1-3-4-11-19(23)16-12-15(9-10-17(16)21-18(19)22)20-14-7-5-13(2)6-8-14/h5-10,12,20,23H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyOHSWHFLPZLNBPO-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.07
Rot. Bonds5

About 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one

3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one (PubChem CID 141465881) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one.

Molecular Properties

Compound Name3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one
PubChem CID141465881
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one
SMILESCCCCC1(O)C(=O)Nc2ccc(Nc3ccc(C)cc3)cc21
InChIInChI=1S/C19H22N2O2/c1-3-4-11-19(23)16-12-15(9-10-17(16)21-18(19)22)20-14-7-5-13(2)6-8-14/h5-10,12,20,23H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyOHSWHFLPZLNBPO-UHFFFAOYSA-N
XLogP4.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one?
The IUPAC name of 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one (CID 141465881) is 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one.
What is the SMILES notation for 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one?
The canonical SMILES for 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one is CCCCC1(O)C(=O)Nc2ccc(Nc3ccc(C)cc3)cc21.
What is the InChIKey of 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one?
The InChIKey is OHSWHFLPZLNBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-4-11-19(23)16-12-15(9-10-17(16)21-18(19)22)20-14-7-5-13(2)6-8-14/h5-10,12,20,23H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one?
3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one has a molecular weight of 310.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one is sourced from PubChem (CID 141465881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).