tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate

C17H27NO5 — CID 19933146

IUPACtert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)C(=O)COCc1ccco1
InChIInChI=1S/C17H27NO5/c1-5-6-9-14(18-16(20)23-17(2,3)4)15(19)12-21-11-13-8-7-10-22-13/h7-8,10,14H,5-6,9,11-12H2,1-4H3,(H,18,20)
InChIKeyLIKMMPLQXDDIAZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.45
Rot. Bonds9

About tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate

tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate (PubChem CID 19933146) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate
PubChem CID19933146
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Nametert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)C(=O)COCc1ccco1
InChIInChI=1S/C17H27NO5/c1-5-6-9-14(18-16(20)23-17(2,3)4)15(19)12-21-11-13-8-7-10-22-13/h7-8,10,14H,5-6,9,11-12H2,1-4H3,(H,18,20)
InChIKeyLIKMMPLQXDDIAZ-UHFFFAOYSA-N
XLogP3.45
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate (CID 19933146) is tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate is CCCCC(NC(=O)OC(C)(C)C)C(=O)COCc1ccco1.
What is the InChIKey of tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate?
The InChIKey is LIKMMPLQXDDIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-5-6-9-14(18-16(20)23-17(2,3)4)15(19)12-21-11-13-8-7-10-22-13/h7-8,10,14H,5-6,9,11-12H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate?
tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(furan-2-ylmethoxy)-2-oxoheptan-3-yl]carbamate is sourced from PubChem (CID 19933146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).