5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione

C18H28N4O4 — CID 97136315

About 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 97136315) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 97136315
• Molecular Formula: C18H28N4O4
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.21
• IUPAC Name: 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione
• SMILES: CC(C)N1CCC[C@@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1=O
• InChI: InChI=1S/C18H28N4O4/c1-12(2)21-8-5-6-18(15(21)25)7-9-20(11-18)13(23)10-22-16(26)19-14(24)17(22,3)4/h12H,5-11H2,1-4H3,(H,19,24,26)/t18-/m0/s1
• InChIKey: MKYROOYWFHIRKD-SFHVURJKSA-N
• XLogP: 0.57
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione (CID 97136315) is 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione is CC(C)N1CCC[C@@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1=O.

What is the InChIKey of 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is MKYROOYWFHIRKD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-12(2)21-8-5-6-18(15(21)25)7-9-20(11-18)13(23)10-22-16(26)19-14(24)17(22,3)4/h12H,5-11H2,1-4H3,(H,19,24,26)/t18-/m0/s1.

What are the key properties of 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione?

5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97136315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).