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

C12H22N2O3 — CID 163403842

IUPACtert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate
SMILESC#CCNCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-5-6-13-7-9-16-10-8-14-11(15)17-12(2,3)4/h1,13H,6-10H2,2-4H3,(H,14,15)
InChIKeyZZICKINQZYBBCO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.75
Rot. Bonds7

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

tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate (PubChem CID 163403842) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate
PubChem CID163403842
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate
SMILESC#CCNCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-5-6-13-7-9-16-10-8-14-11(15)17-12(2,3)4/h1,13H,6-10H2,2-4H3,(H,14,15)
InChIKeyZZICKINQZYBBCO-UHFFFAOYSA-N
XLogP0.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-but-3-ynoxyethoxy)ethoxy]ethyl]carbamate
CID 146336566
tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate
CID 178134904
tert-butyl N-[2-[2-(pentylamino)ethoxy]ethyl]carbamate
CID 167579388
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
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
tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate
CID 126480429
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
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate (CID 163403842) is tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate is C#CCNCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate?
The InChIKey is ZZICKINQZYBBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-6-13-7-9-16-10-8-14-11(15)17-12(2,3)4/h1,13H,6-10H2,2-4H3,(H,14,15).
What are the key properties of tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate is sourced from PubChem (CID 163403842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).