N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide

C29H41N5O3 — CID 20711326

About N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide

N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide (PubChem CID 20711326) has the molecular formula C29H41N5O3 and a molecular weight of 507.68 g/mol. Its IUPAC name is N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide
• PubChem CID: 20711326
• Molecular Formula: C29H41N5O3
• Molecular Weight: 507.68 g/mol
• Exact Mass: 507.32
• IUPAC Name: N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)NC(CC1CCCCC1)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2)cn1
• InChI: InChI=1S/C29H41N5O3/c1-29(2,3)28(37)31-23(18-21-12-6-4-7-13-21)26(35)32-24-19-34(20-30-24)25(22-14-8-5-9-15-22)27(36)33-16-10-11-17-33/h5,8-9,14-15,19-21,23,25H,4,6-7,10-13,16-18H2,1-3H3,(H,31,37)(H,32,35)
• InChIKey: LKKDUKDQJKENLU-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.68
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide (CID 20711326) is N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(CC1CCCCC1)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2)cn1.

What is the InChIKey of N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide?

The InChIKey is LKKDUKDQJKENLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5O3/c1-29(2,3)28(37)31-23(18-21-12-6-4-7-13-21)26(35)32-24-19-34(20-30-24)25(22-14-8-5-9-15-22)27(36)33-16-10-11-17-33/h5,8-9,14-15,19-21,23,25H,4,6-7,10-13,16-18H2,1-3H3,(H,31,37)(H,32,35).

What are the key properties of N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide?

N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 507.68 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 20711326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).