2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide

C17H30N2O5 — CID 162792886

IUPAC2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CC2OC(CNC3CCOCC3)C(O)C2O1
InChIInChI=1S/C17H30N2O5/c1-10(2)19-15(20)8-12-7-13-17(23-12)16(21)14(24-13)9-18-11-3-5-22-6-4-11/h10-14,16-18,21H,3-9H2,1-2H3,(H,19,20)
InChIKeyYJYRKKFRBZCGQC-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.04
Rot. Bonds6

About 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide

2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (PubChem CID 162792886) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
PubChem CID162792886
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CC2OC(CNC3CCOCC3)C(O)C2O1
InChIInChI=1S/C17H30N2O5/c1-10(2)19-15(20)8-12-7-13-17(23-12)16(21)14(24-13)9-18-11-3-5-22-6-4-11/h10-14,16-18,21H,3-9H2,1-2H3,(H,19,20)
InChIKeyYJYRKKFRBZCGQC-UHFFFAOYSA-N
XLogP-0.04
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (CID 162792886) is 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CC2OC(CNC3CCOCC3)C(O)C2O1.
What is the InChIKey of 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is YJYRKKFRBZCGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-10(2)19-15(20)8-12-7-13-17(23-12)16(21)14(24-13)9-18-11-3-5-22-6-4-11/h10-14,16-18,21H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide has a molecular weight of 342.44 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 162792886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).