tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate

C15H30N2O5 — CID 178134904

IUPACtert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate
SMILESCC(C)(C)OC(=O)CNCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5/c1-14(2,3)21-12(18)11-16-7-9-20-10-8-17-13(19)22-15(4,5)6/h16H,7-11H2,1-6H3,(H,17,19)
InChIKeyXPOYTRQZFSOPDF-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.46
Rot. Bonds8

About tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate

tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate (PubChem CID 178134904) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate
PubChem CID178134904
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Nametert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate
SMILESCC(C)(C)OC(=O)CNCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5/c1-14(2,3)21-12(18)11-16-7-9-20-10-8-17-13(19)22-15(4,5)6/h16H,7-11H2,1-6H3,(H,17,19)
InChIKeyXPOYTRQZFSOPDF-UHFFFAOYSA-N
XLogP1.46
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate
CID 163403842
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
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
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683
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
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate (CID 178134904) is tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate is CC(C)(C)OC(=O)CNCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate?
The InChIKey is XPOYTRQZFSOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O5/c1-14(2,3)21-12(18)11-16-7-9-20-10-8-17-13(19)22-15(4,5)6/h16H,7-11H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate?
tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate has a molecular weight of 318.41 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate is sourced from PubChem (CID 178134904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).