tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate

C20H28N2O5 — CID 97007729

IUPACtert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1
InChIInChI=1S/C20H28N2O5/c1-19(2,3)27-18(24)21-11-12-5-6-14(26-12)17(23)22-15-13-7-10-25-16(13)20(15)8-4-9-20/h5-6,13,15-16H,4,7-11H2,1-3H3,(H,21,24)(H,22,23)/t13-,15-,16+/m1/s1
InChIKeyKCUDGYPPUJGTNY-BMFZPTHFSA-N
MW376.45 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate

tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate (PubChem CID 97007729) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate
PubChem CID97007729
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1
InChIInChI=1S/C20H28N2O5/c1-19(2,3)27-18(24)21-11-12-5-6-14(26-12)17(23)22-15-13-7-10-25-16(13)20(15)8-4-9-20/h5-6,13,15-16H,4,7-11H2,1-3H3,(H,21,24)(H,22,23)/t13-,15-,16+/m1/s1
InChIKeyKCUDGYPPUJGTNY-BMFZPTHFSA-N
XLogP2.99
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[ethylamino-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)methylidene]amino]ethyl]carbamate;hydroiodide
CID 109396465
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111
tert-butyl N-[1-(N'-ethyl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylcarbamimidoyl)pyrrolidin-3-yl]carbamate;hydroiodide
CID 109395031
1-[(1-hydroxycyclopentyl)methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390208
6-(dimethylamino)-N-[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide
CID 124858762
tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995210
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995178
6-(dimethylamino)-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide
CID 99598567
5-[[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methylamino]methyl]furan-2-carboxylic acid
CID 107243225
1-(3-hydroxy-3-phenylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109380484
4-methoxy-N-[2-[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]ethyl]benzamide
CID 124626976

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate (CID 97007729) is tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1.
What is the InChIKey of tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate?
The InChIKey is KCUDGYPPUJGTNY-BMFZPTHFSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-19(2,3)27-18(24)21-11-12-5-6-14(26-12)17(23)22-15-13-7-10-25-16(13)20(15)8-4-9-20/h5-6,13,15-16H,4,7-11H2,1-3H3,(H,21,24)(H,22,23)/t13-,15-,16+/m1/s1.
What are the key properties of tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate?
tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate has a molecular weight of 376.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate is sourced from PubChem (CID 97007729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).