(2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C20H28N2O2 — CID 97366729

IUPAC(2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1
InChIInChI=1S/C20H28N2O2/c23-20(21-17-7-4-8-17)18-13-16-10-12-22(14-19(16)24-18)11-9-15-5-2-1-3-6-15/h1-3,5-6,16-19H,4,7-14H2,(H,21,23)/t16-,18-,19+/m0/s1
InChIKeyJTGLGFHVUFLEMT-YTQUADARSA-N
MW328.46 g/mol
LogP2.38
Rot. Bonds5

About (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366729) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366729
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1
InChIInChI=1S/C20H28N2O2/c23-20(21-17-7-4-8-17)18-13-16-10-12-22(14-19(16)24-18)11-9-15-5-2-1-3-6-15/h1-3,5-6,16-19H,4,7-14H2,(H,21,23)/t16-,18-,19+/m0/s1
InChIKeyJTGLGFHVUFLEMT-YTQUADARSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-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 (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366729) is (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is JTGLGFHVUFLEMT-YTQUADARSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(21-17-7-4-8-17)18-13-16-10-12-22(14-19(16)24-18)11-9-15-5-2-1-3-6-15/h1-3,5-6,16-19H,4,7-14H2,(H,21,23)/t16-,18-,19+/m0/s1.
What are the key properties of (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).