2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide

C17H21N3O6 — CID 11883284

IUPAC2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
SMILESCC(=O)c1ccc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC(N)=O)cc1
InChIInChI=1S/C17H21N3O6/c1-9(21)10-2-4-11(5-3-10)19-17(23)20-12-6-25-16-13(7-26-15(12)16)24-8-14(18)22/h2-5,12-13,15-16H,6-8H2,1H3,(H2,18,22)(H2,19,20,23)/t12-,13+,15+,16+/m0/s1
InChIKeyYPMKLNKMFIUZED-SJXGUFTOSA-N
MW363.37 g/mol
LogP0.05
Rot. Bonds6

About 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide

2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide (PubChem CID 11883284) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
PubChem CID11883284
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Name2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
SMILESCC(=O)c1ccc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC(N)=O)cc1
InChIInChI=1S/C17H21N3O6/c1-9(21)10-2-4-11(5-3-10)19-17(23)20-12-6-25-16-13(7-26-15(12)16)24-8-14(18)22/h2-5,12-13,15-16H,6-8H2,1H3,(H2,18,22)(H2,19,20,23)/t12-,13+,15+,16+/m0/s1
InChIKeyYPMKLNKMFIUZED-SJXGUFTOSA-N
XLogP0.05
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
The IUPAC name of 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide (CID 11883284) is 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide.
What is the SMILES notation for 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
The canonical SMILES for 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide is CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC(N)=O)cc1.
What is the InChIKey of 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
The InChIKey is YPMKLNKMFIUZED-SJXGUFTOSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-9(21)10-2-4-11(5-3-10)19-17(23)20-12-6-25-16-13(7-26-15(12)16)24-8-14(18)22/h2-5,12-13,15-16H,6-8H2,1H3,(H2,18,22)(H2,19,20,23)/t12-,13+,15+,16+/m0/s1.
What are the key properties of 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide has a molecular weight of 363.37 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,3aR,6R,6aS)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide is sourced from PubChem (CID 11883284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).