tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate

C14H23NO4 — CID 71911264

IUPACtert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate
SMILESCc1cc(C(C)(O)CNC(=O)OC(C)(C)C)c(C)o1
InChIInChI=1S/C14H23NO4/c1-9-7-11(10(2)18-9)14(6,17)8-15-12(16)19-13(3,4)5/h7,17H,8H2,1-6H3,(H,15,16)
InChIKeyQMIFIUVGWLOPLP-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate

tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate (PubChem CID 71911264) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate
PubChem CID71911264
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate
SMILESCc1cc(C(C)(O)CNC(=O)OC(C)(C)C)c(C)o1
InChIInChI=1S/C14H23NO4/c1-9-7-11(10(2)18-9)14(6,17)8-15-12(16)19-13(3,4)5/h7,17H,8H2,1-6H3,(H,15,16)
InChIKeyQMIFIUVGWLOPLP-UHFFFAOYSA-N
XLogP2.63
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate (CID 71911264) is tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate is Cc1cc(C(C)(O)CNC(=O)OC(C)(C)C)c(C)o1.
What is the InChIKey of tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate?
The InChIKey is QMIFIUVGWLOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9-7-11(10(2)18-9)14(6,17)8-15-12(16)19-13(3,4)5/h7,17H,8H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate?
tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 2.63, 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-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 71911264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).