tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate

C17H28ClN3O6 — CID 140799488

IUPACtert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOc1cc(Cl)ncn1
InChIInChI=1S/C17H28ClN3O6/c1-17(2,3)27-16(22)19-4-5-23-6-7-24-8-9-25-10-11-26-15-12-14(18)20-13-21-15/h12-13H,4-11H2,1-3H3,(H,19,22)
InChIKeyAQGIDFKKPFEIBC-UHFFFAOYSA-N
MW405.88 g/mol
LogP2.08
Rot. Bonds13

About tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 140799488) has the molecular formula C17H28ClN3O6 and a molecular weight of 405.88 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID140799488
Molecular FormulaC17H28ClN3O6
Molecular Weight405.88 g/mol
Exact Mass405.17
IUPAC Nametert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOc1cc(Cl)ncn1
InChIInChI=1S/C17H28ClN3O6/c1-17(2,3)27-16(22)19-4-5-23-6-7-24-8-9-25-10-11-26-15-12-14(18)20-13-21-15/h12-13H,4-11H2,1-3H3,(H,19,22)
InChIKeyAQGIDFKKPFEIBC-UHFFFAOYSA-N
XLogP2.08
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate
CID 175662867
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
CID 158955004
CID 158955004
tert-butyl N-[2-[(6-chloropyrimidine-4-carbonyl)amino]ethyl]carbamate
CID 153127652
tert-butyl N-[2-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695945
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-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
tert-butyl N-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170540588
methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235
2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 89421745
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-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 140799488) is tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCOc1cc(Cl)ncn1.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is AQGIDFKKPFEIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O6/c1-17(2,3)27-16(22)19-4-5-23-6-7-24-8-9-25-10-11-26-15-12-14(18)20-13-21-15/h12-13H,4-11H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 405.88 g/mol, XLogP of 2.08, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 140799488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).