2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide

C16H24N2O4 — CID 97487256

IUPAC2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOCCN1C[C@@H]2[C@@H](CC(=O)NCc3ccco3)CO[C@@H]2C1
InChIInChI=1S/C16H24N2O4/c1-20-6-4-18-9-14-12(11-22-15(14)10-18)7-16(19)17-8-13-3-2-5-21-13/h2-3,5,12,14-15H,4,6-11H2,1H3,(H,17,19)/t12-,14+,15+/m0/s1
InChIKeyMMYGGXNRNQHHFF-NWANDNLSSA-N
MW308.38 g/mol
LogP0.88
Rot. Bonds7

About 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide

2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 97487256) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID97487256
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOCCN1C[C@@H]2[C@@H](CC(=O)NCc3ccco3)CO[C@@H]2C1
InChIInChI=1S/C16H24N2O4/c1-20-6-4-18-9-14-12(11-22-15(14)10-18)7-16(19)17-8-13-3-2-5-21-13/h2-3,5,12,14-15H,4,6-11H2,1H3,(H,17,19)/t12-,14+,15+/m0/s1
InChIKeyMMYGGXNRNQHHFF-NWANDNLSSA-N
XLogP0.88
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[(3aS,7R,7aR)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 134690538
2-[(3S,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 97485898
2-[(3S,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 97485930
2-[(3S,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155848057
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide;oxalic acid
CID 175652948
2-[(3R,3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyridin-3-ylacetamide
CID 97483892
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide (CID 97487256) is 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide is COCCN1C[C@@H]2[C@@H](CC(=O)NCc3ccco3)CO[C@@H]2C1.
What is the InChIKey of 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is MMYGGXNRNQHHFF-NWANDNLSSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-6-4-18-9-14-12(11-22-15(14)10-18)7-16(19)17-8-13-3-2-5-21-13/h2-3,5,12,14-15H,4,6-11H2,1H3,(H,17,19)/t12-,14+,15+/m0/s1.
What are the key properties of 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 97487256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).