N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C26H29N3O6 — CID 123163769

About N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide

N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 123163769) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 123163769
• Molecular Formula: C26H29N3O6
• Molecular Weight: 479.53 g/mol
• Exact Mass: 479.21
• IUPAC Name: N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(CC(NC(=O)C2CNC(=O)C2)C(=O)NC(Cc2ccccc2)C(=O)C2CO2)cc1
• InChI: InChI=1S/C26H29N3O6/c1-34-19-9-7-17(8-10-19)12-21(29-25(32)18-13-23(30)27-14-18)26(33)28-20(24(31)22-15-35-22)11-16-5-3-2-4-6-16/h2-10,18,20-22H,11-15H2,1H3,(H,27,30)(H,28,33)(H,29,32)
• InChIKey: ZUVNCYNNUXATJA-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 126.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.53
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 123163769) is N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CC(NC(=O)C2CNC(=O)C2)C(=O)NC(Cc2ccccc2)C(=O)C2CO2)cc1.

What is the InChIKey of N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is ZUVNCYNNUXATJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-34-19-9-7-17(8-10-19)12-21(29-25(32)18-13-23(30)27-14-18)26(33)28-20(24(31)22-15-35-22)11-16-5-3-2-4-6-16/h2-10,18,20-22H,11-15H2,1H3,(H,27,30)(H,28,33)(H,29,32).

What are the key properties of N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 0.55, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 123163769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).