tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate

C15H30N4O8 — CID 121257831

IUPACtert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCC(=O)NCCOCCOCCNC(=O)CON
InChIInChI=1S/C15H30N4O8/c1-15(2,3)27-14(22)19-26-11-13(21)18-5-7-24-9-8-23-6-4-17-12(20)10-25-16/h4-11,16H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyXSOCFXRIUHIKOL-UHFFFAOYSA-N
MW394.43 g/mol
LogP-1.40
Rot. Bonds14

About tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate

tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate (PubChem CID 121257831) has the molecular formula C15H30N4O8 and a molecular weight of 394.43 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
PubChem CID121257831
Molecular FormulaC15H30N4O8
Molecular Weight394.43 g/mol
Exact Mass394.21
IUPAC Nametert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCC(=O)NCCOCCOCCNC(=O)CON
InChIInChI=1S/C15H30N4O8/c1-15(2,3)27-14(22)19-26-11-13(21)18-5-7-24-9-8-23-6-4-17-12(20)10-25-16/h4-11,16H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyXSOCFXRIUHIKOL-UHFFFAOYSA-N
XLogP-1.40
TPSA159.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 59658355
methyl 2-[2-[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 146808524
tert-butyl N-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 153344874
tert-butyl N-[2-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 123612457
tert-butyl N-[2-(2-aminoethylamino)-2-oxoethoxy]carbamate
CID 87181188
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-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 87598465
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-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 58341968
tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
CID 88940321
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
8-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethylamino]-8-oxooctanoic acid
CID 134514732

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate (CID 121257831) is tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate is CC(C)(C)OC(=O)NOCC(=O)NCCOCCOCCNC(=O)CON.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate?
The InChIKey is XSOCFXRIUHIKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O8/c1-15(2,3)27-14(22)19-26-11-13(21)18-5-7-24-9-8-23-6-4-17-12(20)10-25-16/h4-11,16H2,1-3H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate?
tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate has a molecular weight of 394.43 g/mol, XLogP of -1.40, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate is sourced from PubChem (CID 121257831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).