2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

C32H42N6O4 — CID 20711034

About 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide (PubChem CID 20711034) has the molecular formula C32H42N6O4 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
• PubChem CID: 20711034
• Molecular Formula: C32H42N6O4
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.33
• IUPAC Name: 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
• SMILES: Cc1ccc(C(C(=O)N2CCC(C)CC2)n2cnc(NC(=O)C(COCc3ccccc3)NC(=O)C(C)(C)N)c2)cc1
• InChI: InChI=1S/C32H42N6O4/c1-22-10-12-25(13-11-22)28(30(40)37-16-14-23(2)15-17-37)38-18-27(34-21-38)36-29(39)26(35-31(41)32(3,4)33)20-42-19-24-8-6-5-7-9-24/h5-13,18,21,23,26,28H,14-17,19-20,33H2,1-4H3,(H,35,41)(H,36,39)
• InChIKey: LKPYQFBGKVDOKT-UHFFFAOYSA-N
• XLogP: 3.42
• 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	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The IUPAC name of 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide (CID 20711034) is 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide.

What is the SMILES notation for 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The canonical SMILES for 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide is Cc1ccc(C(C(=O)N2CCC(C)CC2)n2cnc(NC(=O)C(COCc3ccccc3)NC(=O)C(C)(C)N)c2)cc1.

What is the InChIKey of 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

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

What are the key properties of 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide has a molecular weight of 574.73 g/mol, XLogP of 3.42, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide is sourced from PubChem (CID 20711034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).