3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one

C19H22N2O — CID 43823625

IUPAC3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1ccc(C(C)(C)C)cc1)C(=O)N2
InChIInChI=1S/C19H22N2O/c1-12-5-10-16-15(11-12)17(18(22)21-16)20-14-8-6-13(7-9-14)19(2,3)4/h5-11,17,20H,1-4H3,(H,21,22)
InChIKeyCQAVOOYFIDOOAH-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.40
Rot. Bonds2

About 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one

3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43823625) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one
PubChem CID43823625
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1ccc(C(C)(C)C)cc1)C(=O)N2
InChIInChI=1S/C19H22N2O/c1-12-5-10-16-15(11-12)17(18(22)21-16)20-14-8-6-13(7-9-14)19(2,3)4/h5-11,17,20H,1-4H3,(H,21,22)
InChIKeyCQAVOOYFIDOOAH-UHFFFAOYSA-N
XLogP4.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one (CID 43823625) is 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(Nc1ccc(C(C)(C)C)cc1)C(=O)N2.
What is the InChIKey of 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is CQAVOOYFIDOOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-12-5-10-16-15(11-12)17(18(22)21-16)20-14-8-6-13(7-9-14)19(2,3)4/h5-11,17,20H,1-4H3,(H,21,22).
What are the key properties of 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one?
3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 294.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43823625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).