tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate

C12H23NO3 — CID 166698146

IUPACtert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate
SMILESC=C(CC)OCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-7-10(2)15-9-8-13(6)11(14)16-12(3,4)5/h2,7-9H2,1,3-6H3
InChIKeyPAJWUVJFNJORHH-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.79
Rot. Bonds5

About tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate

tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate (PubChem CID 166698146) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate
PubChem CID166698146
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate
SMILESC=C(CC)OCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-7-10(2)15-9-8-13(6)11(14)16-12(3,4)5/h2,7-9H2,1,3-6H3
InChIKeyPAJWUVJFNJORHH-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate
CID 123405533
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 178173815
2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate
CID 174476583
tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
CID 175563660
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-methyl-N-(5-methyl-4-oxohex-5-enyl)carbamate
CID 167204314

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate (CID 166698146) is tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate is C=C(CC)OCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate?
The InChIKey is PAJWUVJFNJORHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-7-10(2)15-9-8-13(6)11(14)16-12(3,4)5/h2,7-9H2,1,3-6H3.
What are the key properties of tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate?
tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate has a molecular weight of 229.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate is sourced from PubChem (CID 166698146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).