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

C13H27NO4 — CID 161198588

IUPACtert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
SMILESCCCOCCOCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO4/c1-5-8-16-10-11-17-9-6-7-14-12(15)18-13(2,3)4/h5-11H2,1-4H3,(H,14,15)
InChIKeyISXVZYBPTIRVBA-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.34
Rot. Bonds9

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

tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate (PubChem CID 161198588) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
PubChem CID161198588
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nametert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
SMILESCCCOCCOCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO4/c1-5-8-16-10-11-17-9-6-7-14-12(15)18-13(2,3)4/h5-11H2,1-4H3,(H,14,15)
InChIKeyISXVZYBPTIRVBA-UHFFFAOYSA-N
XLogP2.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]ethoxy]ethoxy]ethyl]carbamate
CID 159536089
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
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-butylcarbamate;methane
CID 153346289
tert-butyl N-[3-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111240918
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
CID 171066422

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate (CID 161198588) is tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate is CCCOCCOCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate?
The InChIKey is ISXVZYBPTIRVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-5-8-16-10-11-17-9-6-7-14-12(15)18-13(2,3)4/h5-11H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate?
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate has a molecular weight of 261.36 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate is sourced from PubChem (CID 161198588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).