N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide

C19H22N2O3 — CID 124782399

About N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide

N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide (PubChem CID 124782399) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide
• PubChem CID: 124782399
• Molecular Formula: C19H22N2O3
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.16
• IUPAC Name: N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide
• SMILES: O=C(NC[C@@]12COC[C@@H]1CN(Cc1ccccc1)C2)c1ccco1
• InChI: InChI=1S/C19H22N2O3/c22-18(17-7-4-8-24-17)20-12-19-13-21(10-16(19)11-23-14-19)9-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,20,22)/t16-,19+/m0/s1
• InChIKey: RHIFDVVJGRVCCG-QFBILLFUSA-N
• XLogP: 2.16
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.40
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide (CID 124782399) is N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide is O=C(NC[C@@]12COC[C@@H]1CN(Cc1ccccc1)C2)c1ccco1.

What is the InChIKey of N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide?

The InChIKey is RHIFDVVJGRVCCG-QFBILLFUSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(17-7-4-8-24-17)20-12-19-13-21(10-16(19)11-23-14-19)9-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,20,22)/t16-,19+/m0/s1.

What are the key properties of N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide?

N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 124782399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).