tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate

C11H16N2O4 — CID 75481133

IUPACtert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(N)=O)co1
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-10(15)13-5-8-4-7(6-16-8)9(12)14/h4,6H,5H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyFQACDDCZBDVOLU-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.40
Rot. Bonds3

About tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate

tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate (PubChem CID 75481133) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate
PubChem CID75481133
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nametert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(N)=O)co1
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-10(15)13-5-8-4-7(6-16-8)9(12)14/h4,6H,5H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyFQACDDCZBDVOLU-UHFFFAOYSA-N
XLogP1.40
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate (CID 75481133) is tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(C(N)=O)co1.
What is the InChIKey of tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate?
The InChIKey is FQACDDCZBDVOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,3)17-10(15)13-5-8-4-7(6-16-8)9(12)14/h4,6H,5H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate?
tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate has a molecular weight of 240.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate is sourced from PubChem (CID 75481133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).