tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate

C14H30N2O4 — CID 58279897

IUPACtert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate
SMILESCOCCOCCNCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-14(2,3)20-13(17)16-8-6-5-7-15-9-10-19-12-11-18-4/h15H,5-12H2,1-4H3,(H,16,17)
InChIKeyYGBPFQGRAUJCJT-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.54
Rot. Bonds11

About tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate

tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate (PubChem CID 58279897) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate
PubChem CID58279897
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Nametert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate
SMILESCOCCOCCNCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-14(2,3)20-13(17)16-8-6-5-7-15-9-10-19-12-11-18-4/h15H,5-12H2,1-4H3,(H,16,17)
InChIKeyYGBPFQGRAUJCJT-UHFFFAOYSA-N
XLogP1.54
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
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-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate (CID 58279897) is tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate is COCCOCCNCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate?
The InChIKey is YGBPFQGRAUJCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-14(2,3)20-13(17)16-8-6-5-7-15-9-10-19-12-11-18-4/h15H,5-12H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate?
tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate has a molecular weight of 290.40 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate is sourced from PubChem (CID 58279897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).