N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide

C23H30N2O3 — CID 124840859

About N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide

N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide (PubChem CID 124840859) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
• PubChem CID: 124840859
• Molecular Formula: C23H30N2O3
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.23
• IUPAC Name: N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
• SMILES: C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)o1
• InChI: InChI=1S/C23H30N2O3/c1-16-11-21(16)22-9-7-20(28-22)8-10-23(27)24-13-18-12-19(26)15-25(18)14-17-5-3-2-4-6-17/h2-7,9,16,18-19,21,26H,8,10-15H2,1H3,(H,24,27)/t16-,18-,19-,21+/m1/s1
• InChIKey: OOIAGFVFXYNQEW-VELGLUOQSA-N
• XLogP: 3.09
• TPSA: 65.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.50
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?

The IUPAC name of N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide (CID 124840859) is N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide.

What is the SMILES notation for N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?

The canonical SMILES for N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide is C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)o1.

What is the InChIKey of N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?

The InChIKey is OOIAGFVFXYNQEW-VELGLUOQSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16-11-21(16)22-9-7-20(28-22)8-10-23(27)24-13-18-12-19(26)15-25(18)14-17-5-3-2-4-6-17/h2-7,9,16,18-19,21,26H,8,10-15H2,1H3,(H,24,27)/t16-,18-,19-,21+/m1/s1.

What are the key properties of N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?

N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide has a molecular weight of 382.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide is sourced from PubChem (CID 124840859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).