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

C30H38N6O4 — CID 20711077

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

2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide (PubChem CID 20711077) has the molecular formula C30H38N6O4 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
• PubChem CID: 20711077
• Molecular Formula: C30H38N6O4
• Molecular Weight: 546.67 g/mol
• Exact Mass: 546.30
• IUPAC Name: 2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
• SMILES: CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(C(CC(=O)N2CCCC2)c2ccccc2)cn1
• InChI: InChI=1S/C30H38N6O4/c1-30(2,31)29(39)33-24(20-40-19-22-11-5-3-6-12-22)28(38)34-26-18-36(21-32-26)25(23-13-7-4-8-14-23)17-27(37)35-15-9-10-16-35/h3-8,11-14,18,21,24-25H,9-10,15-17,19-20,31H2,1-2H3,(H,33,39)(H,34,38)
• InChIKey: FGCVXXAENLHUEB-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 131.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.67
LogP ≤ 5	2.86
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-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?

The IUPAC name of 2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide (CID 20711077) is 2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide.

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

The canonical SMILES for 2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide is CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(C(CC(=O)N2CCCC2)c2ccccc2)cn1.

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

The InChIKey is FGCVXXAENLHUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O4/c1-30(2,31)29(39)33-24(20-40-19-22-11-5-3-6-12-22)28(38)34-26-18-36(21-32-26)25(23-13-7-4-8-14-23)17-27(37)35-15-9-10-16-35/h3-8,11-14,18,21,24-25H,9-10,15-17,19-20,31H2,1-2H3,(H,33,39)(H,34,38).

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

2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide has a molecular weight of 546.67 g/mol, XLogP of 2.86, 12 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-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide is sourced from PubChem (CID 20711077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).