3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one

C18H26N2O — CID 43673902

IUPAC3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)(C)C1CCCCC1NC1C(=O)Nc2ccccc21
InChIInChI=1S/C18H26N2O/c1-18(2,3)13-9-5-7-11-15(13)19-16-12-8-4-6-10-14(12)20-17(16)21/h4,6,8,10,13,15-16,19H,5,7,9,11H2,1-3H3,(H,20,21)
InChIKeyKZAIBQMUQGLRSS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.87
Rot. Bonds2

About 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one

3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one (PubChem CID 43673902) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one
PubChem CID43673902
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)(C)C1CCCCC1NC1C(=O)Nc2ccccc21
InChIInChI=1S/C18H26N2O/c1-18(2,3)13-9-5-7-11-15(13)19-16-12-8-4-6-10-14(12)20-17(16)21/h4,6,8,10,13,15-16,19H,5,7,9,11H2,1-3H3,(H,20,21)
InChIKeyKZAIBQMUQGLRSS-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one (CID 43673902) is 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one is CC(C)(C)C1CCCCC1NC1C(=O)Nc2ccccc21.
What is the InChIKey of 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is KZAIBQMUQGLRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2,3)13-9-5-7-11-15(13)19-16-12-8-4-6-10-14(12)20-17(16)21/h4,6,8,10,13,15-16,19H,5,7,9,11H2,1-3H3,(H,20,21).
What are the key properties of 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one?
3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43673902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).