2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate

C12H24N2O4 — CID 176596941

IUPAC2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-11(2,3)13-9(15)17-7-8-18-10(16)14-12(4,5)6/h7-8H2,1-6H3,(H,13,15)(H,14,16)
InChIKeyZKHLVIQAHHGZDL-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.04
Rot. Bonds3

About 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate

2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate (PubChem CID 176596941) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
PubChem CID176596941
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-11(2,3)13-9(15)17-7-8-18-10(16)14-12(4,5)6/h7-8H2,1-6H3,(H,13,15)(H,14,16)
InChIKeyZKHLVIQAHHGZDL-UHFFFAOYSA-N
XLogP2.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
CID 91125115
(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
CID 142744871
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2-ethylsulfanylethyl N-tert-butylcarbamate
CID 174520312
2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
CID 90775428
2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
CID 174910550
3-(propan-2-ylamino)propyl N-tert-butylcarbamate
CID 79337530
2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate
CID 91281595
2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
CID 143586644
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate (CID 176596941) is 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCOC(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate?
The InChIKey is ZKHLVIQAHHGZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-11(2,3)13-9(15)17-7-8-18-10(16)14-12(4,5)6/h7-8H2,1-6H3,(H,13,15)(H,14,16).
What are the key properties of 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate?
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate has a molecular weight of 260.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 176596941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).