N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide

C16H21NO6 — CID 156584374

IUPACN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc1
InChIInChI=1S/C16H21NO6/c1-2-20-10-3-5-11(6-4-10)21-9-14(19)17-12-7-22-16-13(18)8-23-15(12)16/h3-6,12-13,15-16,18H,2,7-9H2,1H3,(H,17,19)/t12-,13+,15+,16+/m0/s1
InChIKeyPPIDDZCPTZKTCJ-SJXGUFTOSA-N
MW323.35 g/mol
LogP0.11
Rot. Bonds6

About N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 156584374) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID156584374
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc1
InChIInChI=1S/C16H21NO6/c1-2-20-10-3-5-11(6-4-10)21-9-14(19)17-12-7-22-16-13(18)8-23-15(12)16/h3-6,12-13,15-16,18H,2,7-9H2,1H3,(H,17,19)/t12-,13+,15+,16+/m0/s1
InChIKeyPPIDDZCPTZKTCJ-SJXGUFTOSA-N
XLogP0.11
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide with MolForge

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Related Compounds

2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methylphenoxy)acetamide;formic acid
CID 163341407
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenylmethoxyacetamide
CID 154565135
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
N-ethoxy-2-(4-ethoxyphenoxy)acetamide
CID 60700690
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 155915771
methyl 1-[3-[(2-phenoxyacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]triazole-4-carboxylate
CID 73134944
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91791644

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide (CID 156584374) is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc1.
What is the InChIKey of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is PPIDDZCPTZKTCJ-SJXGUFTOSA-N. The full InChI is InChI=1S/C16H21NO6/c1-2-20-10-3-5-11(6-4-10)21-9-14(19)17-12-7-22-16-13(18)8-23-15(12)16/h3-6,12-13,15-16,18H,2,7-9H2,1H3,(H,17,19)/t12-,13+,15+,16+/m0/s1.
What are the key properties of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 323.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 156584374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).