[(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate

C14H26N2O4 — CID 162350227

IUPAC[(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OC/C=C/COC(N)=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)16(14(4,5)6)12(18)20-10-8-7-9-19-11(15)17/h7-8H,9-10H2,1-6H3,(H2,15,17)/b8-7+
InChIKeyPSNXGEBTJCQLON-BQYQJAHWSA-N
MW286.37 g/mol
LogP2.67
Rot. Bonds4

About [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate

[(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate (PubChem CID 162350227) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate.

Molecular Properties

Compound Name[(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate
PubChem CID162350227
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name[(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OC/C=C/COC(N)=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)16(14(4,5)6)12(18)20-10-8-7-9-19-11(15)17/h7-8H,9-10H2,1-6H3,(H2,15,17)/b8-7+
InChIKeyPSNXGEBTJCQLON-BQYQJAHWSA-N
XLogP2.67
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate?
The IUPAC name of [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate (CID 162350227) is [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate.
What is the SMILES notation for [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate?
The canonical SMILES for [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate is CC(C)(C)N(C(=O)OC/C=C/COC(N)=O)C(C)(C)C.
What is the InChIKey of [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate?
The InChIKey is PSNXGEBTJCQLON-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)16(14(4,5)6)12(18)20-10-8-7-9-19-11(15)17/h7-8H,9-10H2,1-6H3,(H2,15,17)/b8-7+.
What are the key properties of [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate?
[(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate has a molecular weight of 286.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate is sourced from PubChem (CID 162350227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).