tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate

C15H22N2O2 — CID 126836442

IUPACtert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1c2ccccc2NC1(C)C
InChIInChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)16-12-10-8-6-7-9-11(10)17-15(12,4)5/h6-9,12,17H,1-5H3,(H,16,18)
InChIKeyOWWISFDDGPTDSR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.46
Rot. Bonds1

About tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate

tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate (PubChem CID 126836442) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate
PubChem CID126836442
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1c2ccccc2NC1(C)C
InChIInChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)16-12-10-8-6-7-9-11(10)17-15(12,4)5/h6-9,12,17H,1-5H3,(H,16,18)
InChIKeyOWWISFDDGPTDSR-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate (CID 126836442) is tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate is CC(C)(C)OC(=O)NC1c2ccccc2NC1(C)C.
What is the InChIKey of tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate?
The InChIKey is OWWISFDDGPTDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)16-12-10-8-6-7-9-11(10)17-15(12,4)5/h6-9,12,17H,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate?
tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-dimethyl-1,3-dihydroindol-3-yl)carbamate is sourced from PubChem (CID 126836442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).