tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate

C12H25NO4 — CID 58725633

IUPACtert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
SMILESCOCCOCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-12(2,3)17-11(14)13-7-5-6-8-16-10-9-15-4/h5-10H2,1-4H3,(H,13,14)
InChIKeyQAVNEOKISHBIRD-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.95
Rot. Bonds8

About tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate

tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate (PubChem CID 58725633) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
PubChem CID58725633
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nametert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
SMILESCOCCOCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-12(2,3)17-11(14)13-7-5-6-8-16-10-9-15-4/h5-10H2,1-4H3,(H,13,14)
InChIKeyQAVNEOKISHBIRD-UHFFFAOYSA-N
XLogP1.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.95
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-[2-[[N-[4-(2-methoxyethoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111885517
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
3-O-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl] 1-O-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl] propanedioate
CID 11569485
tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
CID 171066422
tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
CID 87889000
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
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-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[2-[2-[2-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]ethoxy]ethoxy]ethyl]carbamate
CID 159536089
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate (CID 58725633) is tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate is COCCOCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate?
The InChIKey is QAVNEOKISHBIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-12(2,3)17-11(14)13-7-5-6-8-16-10-9-15-4/h5-10H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate?
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate has a molecular weight of 247.33 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate is sourced from PubChem (CID 58725633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).