2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C32H42N6O4 — CID 20710988

About 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 20710988) has the molecular formula C32H42N6O4 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• PubChem CID: 20710988
• Molecular Formula: C32H42N6O4
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.33
• IUPAC Name: 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• SMILES: CC1(C)CCCN(C(=O)C(c2ccccc2)n2cnc(NC(=O)C(COCc3ccccc3)NC(=O)C(C)(C)N)c2)C1
• InChI: InChI=1S/C32H42N6O4/c1-31(2)16-11-17-37(21-31)29(40)27(24-14-9-6-10-15-24)38-18-26(34-22-38)36-28(39)25(35-30(41)32(3,4)33)20-42-19-23-12-7-5-8-13-23/h5-10,12-15,18,22,25,27H,11,16-17,19-21,33H2,1-4H3,(H,35,41)(H,36,39)
• InChIKey: QNRSKYBHZJJTFE-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 131.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 20710988) is 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is CC1(C)CCCN(C(=O)C(c2ccccc2)n2cnc(NC(=O)C(COCc3ccccc3)NC(=O)C(C)(C)N)c2)C1.

What is the InChIKey of 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The InChIKey is QNRSKYBHZJJTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O4/c1-31(2)16-11-17-37(21-31)29(40)27(24-14-9-6-10-15-24)38-18-26(34-22-38)36-28(39)25(35-30(41)32(3,4)33)20-42-19-23-12-7-5-8-13-23/h5-10,12-15,18,22,25,27H,11,16-17,19-21,33H2,1-4H3,(H,35,41)(H,36,39).

What are the key properties of 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 574.73 g/mol, XLogP of 3.50, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 20710988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).