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

C19H28N2O3 — CID 97388458

IUPAC(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1
InChIInChI=1S/C19H28N2O3/c1-23-12-9-20-19(22)17-13-16-8-11-21(14-18(16)24-17)10-7-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3,(H,20,22)/t16-,17+,18+/m0/s1
InChIKeyGUGWBJIQZSGORA-RCCFBDPRSA-N
MW332.44 g/mol
LogP1.47
Rot. Bonds7

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

(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97388458) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-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-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97388458
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1
InChIInChI=1S/C19H28N2O3/c1-23-12-9-20-19(22)17-13-16-8-11-21(14-18(16)24-17)10-7-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3,(H,20,22)/t16-,17+,18+/m0/s1
InChIKeyGUGWBJIQZSGORA-RCCFBDPRSA-N
XLogP1.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.47
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-(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 (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-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-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97388458) is (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is COCCNC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1.
What is the InChIKey of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GUGWBJIQZSGORA-RCCFBDPRSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-12-9-20-19(22)17-13-16-8-11-21(14-18(16)24-17)10-7-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3,(H,20,22)/t16-,17+,18+/m0/s1.
What are the key properties of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.47, 7 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-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97388458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).