[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C22H31N3O5 — CID 8572564

About [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 8572564) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

• Compound Name: [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
• PubChem CID: 8572564
• Molecular Formula: C22H31N3O5
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.23
• IUPAC Name: [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
• SMILES: Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)C2=O)cc1
• InChI: InChI=1S/C22H31N3O5/c1-13(2)25(14(3)4)19(27)16(6)30-18(26)12-24-20(28)22(7,23-21(24)29)17-10-8-15(5)9-11-17/h8-11,13-14,16H,12H2,1-7H3,(H,23,29)/t16-,22-/m1/s1
• InChIKey: QMQJMFRGNNVTKU-OPAMFIHVSA-N
• XLogP: 2.34
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?

The IUPAC name of [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 8572564) is [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

What is the SMILES notation for [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?

The canonical SMILES for [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)C2=O)cc1.

What is the InChIKey of [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?

The InChIKey is QMQJMFRGNNVTKU-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-13(2)25(14(3)4)19(27)16(6)30-18(26)12-24-20(28)22(7,23-21(24)29)17-10-8-15(5)9-11-17/h8-11,13-14,16H,12H2,1-7H3,(H,23,29)/t16-,22-/m1/s1.

What are the key properties of [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?

[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 417.51 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 8572564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).