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

C15H30N2O4 — CID 59599619

IUPACtert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCN1CCCC1
InChIInChI=1S/C15H30N2O4/c1-15(2,3)21-14(18)16-6-10-19-12-13-20-11-9-17-7-4-5-8-17/h4-13H2,1-3H3,(H,16,18)
InChIKeyRHNKSJYSPBYMIV-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.64
Rot. Bonds9

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

tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate (PubChem CID 59599619) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate
PubChem CID59599619
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Nametert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCN1CCCC1
InChIInChI=1S/C15H30N2O4/c1-15(2,3)21-14(18)16-6-10-19-12-13-20-11-9-17-7-4-5-8-17/h4-13H2,1-3H3,(H,16,18)
InChIKeyRHNKSJYSPBYMIV-UHFFFAOYSA-N
XLogP1.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate (CID 59599619) is tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCN1CCCC1.
What is the InChIKey of tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate?
The InChIKey is RHNKSJYSPBYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-15(2,3)21-14(18)16-6-10-19-12-13-20-11-9-17-7-4-5-8-17/h4-13H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 59599619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).