tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate

C16H22N2O2 — CID 71202127

IUPACtert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
SMILESCn1cc(CCNC(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)17-10-9-12-11-18(4)14-8-6-5-7-13(12)14/h5-8,11H,9-10H2,1-4H3,(H,17,19)
InChIKeyOBEAIWNORVRQSY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.25
Rot. Bonds3

About tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate

tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate (PubChem CID 71202127) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
PubChem CID71202127
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nametert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
SMILESCn1cc(CCNC(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)17-10-9-12-11-18(4)14-8-6-5-7-13(12)14/h5-8,11H,9-10H2,1-4H3,(H,17,19)
InChIKeyOBEAIWNORVRQSY-UHFFFAOYSA-N
XLogP3.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate (CID 71202127) is tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate is Cn1cc(CCNC(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate?
The InChIKey is OBEAIWNORVRQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)17-10-9-12-11-18(4)14-8-6-5-7-13(12)14/h5-8,11H,9-10H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate?
tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-methylindol-3-yl)ethyl]carbamate is sourced from PubChem (CID 71202127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).