tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

C22H48N4O8 — CID 159460097

IUPACtert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCN.CC(C)(C)OC(=O)NCCOCCOCCN
InChIInChI=1S/2C11H24N2O4/c2*1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h2*4-9,12H2,1-3H3,(H,13,14)
InChIKeyLUMFVVSVRKMQAA-UHFFFAOYSA-N
MW496.65 g/mol
LogP1.01
Rot. Bonds16

About tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate (PubChem CID 159460097) has the molecular formula C22H48N4O8 and a molecular weight of 496.65 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
PubChem CID159460097
Molecular FormulaC22H48N4O8
Molecular Weight496.65 g/mol
Exact Mass496.35
IUPAC Nametert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCN.CC(C)(C)OC(=O)NCCOCCOCCN
InChIInChI=1S/2C11H24N2O4/c2*1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h2*4-9,12H2,1-3H3,(H,13,14)
InChIKeyLUMFVVSVRKMQAA-UHFFFAOYSA-N
XLogP1.01
TPSA165.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 138695989
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate
CID 150569720
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 138694078
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 51341057
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 75534948
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate (CID 159460097) is tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCN.CC(C)(C)OC(=O)NCCOCCOCCN.
What is the InChIKey of tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The InChIKey is LUMFVVSVRKMQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24N2O4/c2*1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h2*4-9,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate has a molecular weight of 496.65 g/mol, XLogP of 1.01, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 159460097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).