2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane

C27H42N6O4 — CID 157415337

About 2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane

2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane (PubChem CID 157415337) has the molecular formula C27H42N6O4 and a molecular weight of 514.67 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane
• PubChem CID: 157415337
• Molecular Formula: C27H42N6O4
• Molecular Weight: 514.67 g/mol
• Exact Mass: 514.33
• IUPAC Name: 2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane
• SMILES: C.CCC1CCN(C(=O)Cn2cnc(NC(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1
• InChI: InChI=1S/C26H38N6O4.CH4/c1-4-19-10-12-32(13-11-19)23(33)15-31-14-22(28-18-31)30-24(34)21(29-25(35)26(2,3)27)17-36-16-20-8-6-5-7-9-20;/h5-9,14,18-19,21H,4,10-13,15-17,27H2,1-3H3,(H,29,35)(H,30,34);1H4/t21-;/m1./s1
• InChIKey: BOTXEKIMVZJBLB-ZMBIFBSDSA-N
• XLogP: 2.55
• TPSA: 131.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.67
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane (CID 157415337) is 2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane.

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

The canonical SMILES for 2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane is C.CCC1CCN(C(=O)Cn2cnc(NC(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1.

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

The InChIKey is BOTXEKIMVZJBLB-ZMBIFBSDSA-N. The full InChI is InChI=1S/C26H38N6O4.CH4/c1-4-19-10-12-32(13-11-19)23(33)15-31-14-22(28-18-31)30-24(34)21(29-25(35)26(2,3)27)17-36-16-20-8-6-5-7-9-20;/h5-9,14,18-19,21H,4,10-13,15-17,27H2,1-3H3,(H,29,35)(H,30,34);1H4/t21-;/m1./s1.

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

2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane has a molecular weight of 514.67 g/mol, XLogP of 2.55, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane is sourced from PubChem (CID 157415337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).