[(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate

C15H19NO4 — CID 163669562

IUPAC[(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)O[C@@H]2CO[C@@H]3CCOC32)cc1
InChIInChI=1S/C15H19NO4/c1-2-10-3-5-11(6-4-10)16-15(17)20-13-9-19-12-7-8-18-14(12)13/h3-6,12-14H,2,7-9H2,1H3,(H,16,17)/t12-,13-,14?/m1/s1
InChIKeyJBIHMHFBWLOPAM-ZFXTZCCVSA-N
MW277.32 g/mol
LogP2.35
Rot. Bonds3

About [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate

[(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate (PubChem CID 163669562) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate.

Molecular Properties

Compound Name[(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate
PubChem CID163669562
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)O[C@@H]2CO[C@@H]3CCOC32)cc1
InChIInChI=1S/C15H19NO4/c1-2-10-3-5-11(6-4-10)16-15(17)20-13-9-19-12-7-8-18-14(12)13/h3-6,12-14H,2,7-9H2,1H3,(H,16,17)/t12-,13-,14?/m1/s1
InChIKeyJBIHMHFBWLOPAM-ZFXTZCCVSA-N
XLogP2.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate with MolForge

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Related Compounds

[(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate
CID 11923061
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 137484809
[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (E)-3-(4-butoxyphenyl)prop-2-enoate
CID 166881113
[(1S,2R)-2-methylcyclohexyl] N-[4-[[4-[[(1S,2R)-2-methylcyclohexyl]oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 124919110
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
[3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 73133304
[(3S,3aS,6S,6aS)-3-[[4-(dimethylamino)phenyl]methylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 163117034
[3-[(4-phenylphenyl)methylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 73133692
[(3R,3aR,6R,6aR)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 163167399
O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane
CID 176698149
[(3R,3aR,6R,6aR)-3-[(4-propan-2-ylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate
CID 162811958
(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 156643609

Frequently Asked Questions

What is the IUPAC name of [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate?
The IUPAC name of [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate (CID 163669562) is [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate.
What is the SMILES notation for [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate?
The canonical SMILES for [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate is CCc1ccc(NC(=O)O[C@@H]2CO[C@@H]3CCOC32)cc1.
What is the InChIKey of [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate?
The InChIKey is JBIHMHFBWLOPAM-ZFXTZCCVSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-10-3-5-11(6-4-10)16-15(17)20-13-9-19-12-7-8-18-14(12)13/h3-6,12-14H,2,7-9H2,1H3,(H,16,17)/t12-,13-,14?/m1/s1.
What are the key properties of [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate?
[(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate has a molecular weight of 277.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate is sourced from PubChem (CID 163669562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).