[(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate

C20H20N2O6 — CID 46232722

IUPAC[(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1ccccc1
InChIInChI=1S/C20H20N2O6/c23-19(21-13-7-3-1-4-8-13)27-15-11-25-18-16(12-26-17(15)18)28-20(24)22-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2,(H,21,23)(H,22,24)/t15-,16+,17-,18-/m1/s1
InChIKeyKDDHNJSIHIMRGH-XMTFNYHQSA-N
MW384.39 g/mol
LogP3.02
Rot. Bonds4

About [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate

[(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate (PubChem CID 46232722) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate
PubChem CID46232722
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name[(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1ccccc1
InChIInChI=1S/C20H20N2O6/c23-19(21-13-7-3-1-4-8-13)27-15-11-25-18-16(12-26-17(15)18)28-20(24)22-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2,(H,21,23)(H,22,24)/t15-,16+,17-,18-/m1/s1
InChIKeyKDDHNJSIHIMRGH-XMTFNYHQSA-N
XLogP3.02
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate?
The IUPAC name of [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate (CID 46232722) is [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate.
What is the SMILES notation for [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate?
The canonical SMILES for [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1ccccc1.
What is the InChIKey of [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate?
The InChIKey is KDDHNJSIHIMRGH-XMTFNYHQSA-N. The full InChI is InChI=1S/C20H20N2O6/c23-19(21-13-7-3-1-4-8-13)27-15-11-25-18-16(12-26-17(15)18)28-20(24)22-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2,(H,21,23)(H,22,24)/t15-,16+,17-,18-/m1/s1.
What are the key properties of [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate?
[(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate has a molecular weight of 384.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aR)-6-(phenylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-phenylcarbamate is sourced from PubChem (CID 46232722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).