2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide

C14H26N2O4 — CID 100661851

IUPAC2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CN(C)C)[C@@H](O)[C@H]2O1
InChIInChI=1S/C14H26N2O4/c1-8(2)15-12(17)6-9-5-10-14(19-9)13(18)11(20-10)7-16(3)4/h8-11,13-14,18H,5-7H2,1-4H3,(H,15,17)/t9-,10+,11+,13+,14-/m0/s1
InChIKeyOPFAKCVWGWHGCT-LZFBMIIGSA-N
MW286.37 g/mol
LogP-0.25
Rot. Bonds5

About 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide

2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (PubChem CID 100661851) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
PubChem CID100661851
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CN(C)C)[C@@H](O)[C@H]2O1
InChIInChI=1S/C14H26N2O4/c1-8(2)15-12(17)6-9-5-10-14(19-9)13(18)11(20-10)7-16(3)4/h8-11,13-14,18H,5-7H2,1-4H3,(H,15,17)/t9-,10+,11+,13+,14-/m0/s1
InChIKeyOPFAKCVWGWHGCT-LZFBMIIGSA-N
XLogP-0.25
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (CID 100661851) is 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CN(C)C)[C@@H](O)[C@H]2O1.
What is the InChIKey of 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is OPFAKCVWGWHGCT-LZFBMIIGSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-8(2)15-12(17)6-9-5-10-14(19-9)13(18)11(20-10)7-16(3)4/h8-11,13-14,18H,5-7H2,1-4H3,(H,15,17)/t9-,10+,11+,13+,14-/m0/s1.
What are the key properties of 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide has a molecular weight of 286.37 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 100661851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).