6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one

C18H20N2O — CID 162059497

IUPAC6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)c1ccc(-c2cc3c(cc2N)NC(=O)C3)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)13-6-4-11(5-7-13)14-8-12-9-17(21)20-16(12)10-15(14)19/h4-8,10H,9,19H2,1-3H3,(H,20,21)
InChIKeyYPXSSBHSMQTQPS-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.73
Rot. Bonds1

About 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one

6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one (PubChem CID 162059497) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one
PubChem CID162059497
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)c1ccc(-c2cc3c(cc2N)NC(=O)C3)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)13-6-4-11(5-7-13)14-8-12-9-17(21)20-16(12)10-15(14)19/h4-8,10H,9,19H2,1-3H3,(H,20,21)
InChIKeyYPXSSBHSMQTQPS-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-fluoro-1,3-dihydroindol-2-one
CID 10103504
6-chloro-5-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 121317048
5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one
CID 113475446
2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline
CID 52936811
6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
CID 144760752
5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 115229633
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-amino-6-[(5-methylfuran-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62524524
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 91511607

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one (CID 162059497) is 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one is CC(C)(C)c1ccc(-c2cc3c(cc2N)NC(=O)C3)cc1.
What is the InChIKey of 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one?
The InChIKey is YPXSSBHSMQTQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,3)13-6-4-11(5-7-13)14-8-12-9-17(21)20-16(12)10-15(14)19/h4-8,10H,9,19H2,1-3H3,(H,20,21).
What are the key properties of 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one?
6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 162059497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).