tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate

C13H27NO5 — CID 170396361

IUPACtert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCCOCCO
InChIInChI=1S/C13H27NO5/c1-13(2,3)19-12(16)14-6-4-8-17-9-5-10-18-11-7-15/h15H,4-11H2,1-3H3,(H,14,16)
InChIKeyUIZSYHNYCANPOI-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.32
Rot. Bonds10

About tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate

tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate (PubChem CID 170396361) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
PubChem CID170396361
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Nametert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCCOCCO
InChIInChI=1S/C13H27NO5/c1-13(2,3)19-12(16)14-6-4-8-17-9-5-10-18-11-7-15/h15H,4-11H2,1-3H3,(H,14,16)
InChIKeyUIZSYHNYCANPOI-UHFFFAOYSA-N
XLogP1.32
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
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-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
CID 87889000
2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 138694078
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
CID 171066422
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
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-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate (CID 170396361) is tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate is CC(C)(C)OC(=O)NCCCOCCCOCCO.
What is the InChIKey of tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate?
The InChIKey is UIZSYHNYCANPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-13(2,3)19-12(16)14-6-4-8-17-9-5-10-18-11-7-15/h15H,4-11H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate?
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate is sourced from PubChem (CID 170396361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).