2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide

C18H26N2O3 — CID 97379989

IUPAC2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide
SMILESCc1ccc(CN2C[C@@H]3COC[C@@H](CC(=O)NC4CC4)[C@@H]3C2)o1
InChIInChI=1S/C18H26N2O3/c1-12-2-5-16(23-12)8-20-7-14-11-22-10-13(17(14)9-20)6-18(21)19-15-3-4-15/h2,5,13-15,17H,3-4,6-11H2,1H3,(H,19,21)/t13-,14-,17+/m1/s1
InChIKeyBQPUTGJDDUIIPK-CPUCHLNUSA-N
MW318.42 g/mol
LogP1.95
Rot. Bonds5

About 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide

2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide (PubChem CID 97379989) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide
PubChem CID97379989
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide
SMILESCc1ccc(CN2C[C@@H]3COC[C@@H](CC(=O)NC4CC4)[C@@H]3C2)o1
InChIInChI=1S/C18H26N2O3/c1-12-2-5-16(23-12)8-20-7-14-11-22-10-13(17(14)9-20)6-18(21)19-15-3-4-15/h2,5,13-15,17H,3-4,6-11H2,1H3,(H,19,21)/t13-,14-,17+/m1/s1
InChIKeyBQPUTGJDDUIIPK-CPUCHLNUSA-N
XLogP1.95
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide (CID 97379989) is 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide is Cc1ccc(CN2C[C@@H]3COC[C@@H](CC(=O)NC4CC4)[C@@H]3C2)o1.
What is the InChIKey of 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide?
The InChIKey is BQPUTGJDDUIIPK-CPUCHLNUSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-2-5-16(23-12)8-20-7-14-11-22-10-13(17(14)9-20)6-18(21)19-15-3-4-15/h2,5,13-15,17H,3-4,6-11H2,1H3,(H,19,21)/t13-,14-,17+/m1/s1.
What are the key properties of 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide?
2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide has a molecular weight of 318.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 97379989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).