tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate

C12H25NO4 — CID 86645526

IUPACtert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate
SMILESCOCCOCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-11(2,3)17-10(14)13-12(4,5)9-16-8-7-15-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyVKSXTPZTNRLJJJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.95
Rot. Bonds6

About tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate (PubChem CID 86645526) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate
PubChem CID86645526
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nametert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate
SMILESCOCCOCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-11(2,3)17-10(14)13-12(4,5)9-16-8-7-15-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyVKSXTPZTNRLJJJ-UHFFFAOYSA-N
XLogP1.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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'}

Analyze tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate (CID 86645526) is tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate is COCCOCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate?
The InChIKey is VKSXTPZTNRLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-11(2,3)17-10(14)13-12(4,5)9-16-8-7-15-6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate has a molecular weight of 247.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 86645526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).