N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C16H24N4O4 — CID 125435398

About N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 125435398) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
• PubChem CID: 125435398
• Molecular Formula: C16H24N4O4
• Molecular Weight: 336.39 g/mol
• Exact Mass: 336.18
• IUPAC Name: N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
• SMILES: CC(C)[C@@H](NC(=O)N1CCC2(CC1)COC(=O)O2)c1nccn1C
• InChI: InChI=1S/C16H24N4O4/c1-11(2)12(13-17-6-9-19(13)3)18-14(21)20-7-4-16(5-8-20)10-23-15(22)24-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,18,21)/t12-/m1/s1
• InChIKey: BTTKQKSLFJMDDH-GFCCVEGCSA-N
• XLogP: 1.83
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.39
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 125435398) is N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC(C)[C@@H](NC(=O)N1CCC2(CC1)COC(=O)O2)c1nccn1C.

What is the InChIKey of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?

The InChIKey is BTTKQKSLFJMDDH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-11(2)12(13-17-6-9-19(13)3)18-14(21)20-7-4-16(5-8-20)10-23-15(22)24-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,18,21)/t12-/m1/s1.

What are the key properties of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?

N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 125435398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).