2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

C26H37N5O6 — CID 20711315

About 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide (PubChem CID 20711315) has the molecular formula C26H37N5O6 and a molecular weight of 515.61 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
• PubChem CID: 20711315
• Molecular Formula: C26H37N5O6
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.27
• IUPAC Name: 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
• SMILES: COOCC1CCCN1C(=O)Cn1cnc(NC(=O)C(COCc2ccccc2)NC(=O)C(C)(C)C)c1
• InChI: InChI=1S/C26H37N5O6/c1-26(2,3)25(34)28-21(17-36-15-19-9-6-5-7-10-19)24(33)29-22-13-30(18-27-22)14-23(32)31-12-8-11-20(31)16-37-35-4/h5-7,9-10,13,18,20-21H,8,11-12,14-17H2,1-4H3,(H,28,34)(H,29,33)
• InChIKey: FQNGJOLPGFDFFN-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 124.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide (CID 20711315) is 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide is COOCC1CCCN1C(=O)Cn1cnc(NC(=O)C(COCc2ccccc2)NC(=O)C(C)(C)C)c1.

What is the InChIKey of 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The InChIKey is FQNGJOLPGFDFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O6/c1-26(2,3)25(34)28-21(17-36-15-19-9-6-5-7-10-19)24(33)29-22-13-30(18-27-22)14-23(32)31-12-8-11-20(31)16-37-35-4/h5-7,9-10,13,18,20-21H,8,11-12,14-17H2,1-4H3,(H,28,34)(H,29,33).

What are the key properties of 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide has a molecular weight of 515.61 g/mol, XLogP of 2.14, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide is sourced from PubChem (CID 20711315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).