2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C32H42N6O5 — CID 59976148

About 2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 59976148) has the molecular formula C32H42N6O5 and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• PubChem CID: 59976148
• Molecular Formula: C32H42N6O5
• Molecular Weight: 590.73 g/mol
• Exact Mass: 590.32
• IUPAC Name: 2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• SMILES: COc1ccccc1C(C(=O)N1CCC(C)CC1)n1cnc(NC(=O)[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)c1
• InChI: InChI=1S/C32H42N6O5/c1-22-14-16-37(17-15-22)30(40)28(24-12-8-9-13-26(24)42-4)38-18-27(34-21-38)36-29(39)25(35-31(41)32(2,3)33)20-43-19-23-10-6-5-7-11-23/h5-13,18,21-22,25,28H,14-17,19-20,33H2,1-4H3,(H,35,41)(H,36,39)/t25-,28?/m1/s1
• InChIKey: CQPAKMJXMVKGGV-RXVAYIKUSA-N
• XLogP: 3.12
• TPSA: 140.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.73
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 59976148) is 2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

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

The canonical SMILES for 2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is COc1ccccc1C(C(=O)N1CCC(C)CC1)n1cnc(NC(=O)[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)c1.

What is the InChIKey of 2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The InChIKey is CQPAKMJXMVKGGV-RXVAYIKUSA-N. The full InChI is InChI=1S/C32H42N6O5/c1-22-14-16-37(17-15-22)30(40)28(24-12-8-9-13-26(24)42-4)38-18-27(34-21-38)36-29(39)25(35-31(41)32(2,3)33)20-43-19-23-10-6-5-7-11-23/h5-13,18,21-22,25,28H,14-17,19-20,33H2,1-4H3,(H,35,41)(H,36,39)/t25-,28?/m1/s1.

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

2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 590.73 g/mol, XLogP of 3.12, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 59976148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).