tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate

C17H26N2O2 — CID 39869621

IUPACtert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccccc1N1CCCC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)18-11-10-14-8-4-5-9-15(14)19-12-6-7-13-19/h4-5,8-9H,6-7,10-13H2,1-3H3,(H,18,20)
InChIKeyRSGQOSJSZUPUCQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.35
Rot. Bonds4

About tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate

tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate (PubChem CID 39869621) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
PubChem CID39869621
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccccc1N1CCCC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)18-11-10-14-8-4-5-9-15(14)19-12-6-7-13-19/h4-5,8-9H,6-7,10-13H2,1-3H3,(H,18,20)
InChIKeyRSGQOSJSZUPUCQ-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate (CID 39869621) is tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccccc1N1CCCC1.
What is the InChIKey of tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate?
The InChIKey is RSGQOSJSZUPUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)18-11-10-14-8-4-5-9-15(14)19-12-6-7-13-19/h4-5,8-9H,6-7,10-13H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate?
tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate is sourced from PubChem (CID 39869621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).