N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide

C28H35N3O5 — CID 59904429

About N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide

N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide (PubChem CID 59904429) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide
• PubChem CID: 59904429
• Molecular Formula: C28H35N3O5
• Molecular Weight: 493.60 g/mol
• Exact Mass: 493.26
• IUPAC Name: N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide
• SMILES: CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2COC(=O)[C@]2(Cc2ccccc2)C1
• InChI: InChI=1S/C28H35N3O5/c1-27(2,29)25(33)30-23(18-35-16-21-11-7-4-8-12-21)24(32)31-14-13-22-17-36-26(34)28(22,19-31)15-20-9-5-3-6-10-20/h3-12,22-23H,13-19,29H2,1-2H3,(H,30,33)/t22?,23-,28-/m1/s1
• InChIKey: ACARHMGLPKMEHC-OWDANKPHSA-N
• XLogP: 2.06
• TPSA: 110.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.60
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide?

The IUPAC name of N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide (CID 59904429) is N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide.

What is the SMILES notation for N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide?

The canonical SMILES for N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2COC(=O)[C@]2(Cc2ccccc2)C1.

What is the InChIKey of N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide?

The InChIKey is ACARHMGLPKMEHC-OWDANKPHSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-27(2,29)25(33)30-23(18-35-16-21-11-7-4-8-12-21)24(32)31-14-13-22-17-36-26(34)28(22,19-31)15-20-9-5-3-6-10-20/h3-12,22-23H,13-19,29H2,1-2H3,(H,30,33)/t22?,23-,28-/m1/s1.

What are the key properties of N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide?

N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide has a molecular weight of 493.60 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-4,6,7,7a-tetrahydro-1H-furo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide is sourced from PubChem (CID 59904429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).