tert-butyl N-(2-carbamoyloxyethyl)carbamate

C8H16N2O4 — CID 83215599

IUPACtert-butyl N-(2-carbamoyloxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCOC(N)=O
InChIInChI=1S/C8H16N2O4/c1-8(2,3)14-7(12)10-4-5-13-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyWUPIBYKZHPEFKI-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.61
Rot. Bonds3

About tert-butyl N-(2-carbamoyloxyethyl)carbamate

tert-butyl N-(2-carbamoyloxyethyl)carbamate (PubChem CID 83215599) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is tert-butyl N-(2-carbamoyloxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-carbamoyloxyethyl)carbamate
PubChem CID83215599
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Nametert-butyl N-(2-carbamoyloxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCOC(N)=O
InChIInChI=1S/C8H16N2O4/c1-8(2,3)14-7(12)10-4-5-13-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyWUPIBYKZHPEFKI-UHFFFAOYSA-N
XLogP0.61
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.61
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

tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
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CID 154659295
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
1-O-methyl 4-O-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] but-2-enedioate
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2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
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tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate
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2-(tert-butylcarbamoylamino)ethyl carbamate
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O-(2-acetamidoethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 121002948
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291
tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
CID 130655244
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-carbamoyloxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-carbamoyloxyethyl)carbamate (CID 83215599) is tert-butyl N-(2-carbamoyloxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-carbamoyloxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-carbamoyloxyethyl)carbamate is CC(C)(C)OC(=O)NCCOC(N)=O.
What is the InChIKey of tert-butyl N-(2-carbamoyloxyethyl)carbamate?
The InChIKey is WUPIBYKZHPEFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-8(2,3)14-7(12)10-4-5-13-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of tert-butyl N-(2-carbamoyloxyethyl)carbamate?
tert-butyl N-(2-carbamoyloxyethyl)carbamate has a molecular weight of 204.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-carbamoyloxyethyl)carbamate is sourced from PubChem (CID 83215599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).