(2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C17H24N2O3 — CID 97388457

IUPAC(2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@@H]2CCN(c3ccccc3)C[C@H]2O1
InChIInChI=1S/C17H24N2O3/c1-21-10-8-18-17(20)15-11-13-7-9-19(12-16(13)22-15)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,18,20)/t13-,15+,16+/m0/s1
InChIKeyKHMJANIBSVGJSE-NUEKZKHPSA-N
MW304.39 g/mol
LogP1.43
Rot. Bonds5

About (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97388457) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97388457
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@@H]2CCN(c3ccccc3)C[C@H]2O1
InChIInChI=1S/C17H24N2O3/c1-21-10-8-18-17(20)15-11-13-7-9-19(12-16(13)22-15)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,18,20)/t13-,15+,16+/m0/s1
InChIKeyKHMJANIBSVGJSE-NUEKZKHPSA-N
XLogP1.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97388457) is (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is COCCNC(=O)[C@H]1C[C@@H]2CCN(c3ccccc3)C[C@H]2O1.
What is the InChIKey of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KHMJANIBSVGJSE-NUEKZKHPSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-10-8-18-17(20)15-11-13-7-9-19(12-16(13)22-15)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,18,20)/t13-,15+,16+/m0/s1.
What are the key properties of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97388457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).