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

C17H30N2O4 — CID 100661951

IUPAC2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)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](CNC3CCCC3)[C@@H](O)[C@H]2O1
InChIInChI=1S/C17H30N2O4/c1-10(2)19-15(20)8-12-7-13-17(22-12)16(21)14(23-13)9-18-11-5-3-4-6-11/h10-14,16-18,21H,3-9H2,1-2H3,(H,19,20)/t12-,13+,14+,16+,17-/m0/s1
InChIKeyGFWHLIHJKQTBLT-SZVRAQGESA-N
MW326.44 g/mol
LogP0.72
Rot. Bonds6

About 2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)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-[(cyclopentylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (PubChem CID 100661951) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)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-[(cyclopentylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
PubChem CID100661951
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)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](CNC3CCCC3)[C@@H](O)[C@H]2O1
InChIInChI=1S/C17H30N2O4/c1-10(2)19-15(20)8-12-7-13-17(22-12)16(21)14(23-13)9-18-11-5-3-4-6-11/h10-14,16-18,21H,3-9H2,1-2H3,(H,19,20)/t12-,13+,14+,16+,17-/m0/s1
InChIKeyGFWHLIHJKQTBLT-SZVRAQGESA-N
XLogP0.72
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)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-[(cyclopentylamino)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-[(cyclopentylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (CID 100661951) is 2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)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-[(cyclopentylamino)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-[(cyclopentylamino)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](CNC3CCCC3)[C@@H](O)[C@H]2O1.
What is the InChIKey of 2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is GFWHLIHJKQTBLT-SZVRAQGESA-N. The full InChI is InChI=1S/C17H30N2O4/c1-10(2)19-15(20)8-12-7-13-17(22-12)16(21)14(23-13)9-18-11-5-3-4-6-11/h10-14,16-18,21H,3-9H2,1-2H3,(H,19,20)/t12-,13+,14+,16+,17-/m0/s1.
What are the key properties of 2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)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-[(cyclopentylamino)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 326.44 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)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 100661951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).