2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide

C32H42N6O4 — CID 59975881

About 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide

2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide (PubChem CID 59975881) has the molecular formula C32H42N6O4 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
• PubChem CID: 59975881
• Molecular Formula: C32H42N6O4
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.33
• IUPAC Name: 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
• SMILES: CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C(CCCc2ccccc2)C(=O)N2CCCC2)cn1
• InChI: InChI=1S/C32H42N6O4/c1-32(2,33)31(41)35-26(22-42-21-25-14-7-4-8-15-25)29(39)36-28-20-38(23-34-28)27(30(40)37-18-9-10-19-37)17-11-16-24-12-5-3-6-13-24/h3-8,12-15,20,23,26-27H,9-11,16-19,21-22,33H2,1-2H3,(H,35,41)(H,36,39)/t26-,27?/m1/s1
• InChIKey: PIIVAMLKHVIHAZ-AVJYQCBHSA-N
• XLogP: 3.45
• TPSA: 131.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?

The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide (CID 59975881) is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide.

What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?

The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C(CCCc2ccccc2)C(=O)N2CCCC2)cn1.

What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?

The InChIKey is PIIVAMLKHVIHAZ-AVJYQCBHSA-N. The full InChI is InChI=1S/C32H42N6O4/c1-32(2,33)31(41)35-26(22-42-21-25-14-7-4-8-15-25)29(39)36-28-20-38(23-34-28)27(30(40)37-18-9-10-19-37)17-11-16-24-12-5-3-6-13-24/h3-8,12-15,20,23,26-27H,9-11,16-19,21-22,33H2,1-2H3,(H,35,41)(H,36,39)/t26-,27?/m1/s1.

What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?

2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide has a molecular weight of 574.73 g/mol, XLogP of 3.45, 14 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-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide is sourced from PubChem (CID 59975881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).