N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane

About N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane

N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane (PubChem CID 143581102) has the molecular formula C28H49FN4O4 and a molecular weight of 524.72 g/mol. Its IUPAC name is N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane.

Molecular Properties

Compound Name	N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane
PubChem CID	143581102
Molecular Formula	C28H49FN4O4
Molecular Weight	524.72 g/mol
Exact Mass	524.37
IUPAC Name	N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane
SMILES	CC(=O)C(CC1CCC1)NC(=O)C1CC2(CN1C(=O)C(C)NF)C(C)(C)C21CCC1.CC(C)C.NC=O
InChI	InChI=1S/C23H36FN3O3.C4H10.CH3NO/c1-14(26-24)20(30)27-13-23(21(3,4)22(23)9-6-10-22)12-18(27)19(29)25-17(15(2)28)11-16-7-5-8-16;1-4(2)3;2-1-3/h14,16-18,26H,5-13H2,1-4H3,(H,25,29);4H,1-3H3;1H,(H2,2,3)
InChIKey	KVSCCRYIDITVNI-UHFFFAOYSA-N
XLogP	3.67
TPSA	121.60 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.72
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane?

The IUPAC name of N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane (CID 143581102) is N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane.

What is the SMILES notation for N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane?

The canonical SMILES for N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane is CC(=O)C(CC1CCC1)NC(=O)C1CC2(CN1C(=O)C(C)NF)C(C)(C)C21CCC1.CC(C)C.NC=O.

What is the InChIKey of N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane?

The InChIKey is KVSCCRYIDITVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN3O3.C4H10.CH3NO/c1-14(26-24)20(30)27-13-23(21(3,4)22(23)9-6-10-22)12-18(27)19(29)25-17(15(2)28)11-16-7-5-8-16;1-4(2)3;2-1-3/h14,16-18,26H,5-13H2,1-4H3,(H,25,29);4H,1-3H3;1H,(H2,2,3).

What are the key properties of N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane?

N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane has a molecular weight of 524.72 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclobutyl-3-oxobutan-2-yl)-7-[2-(fluoroamino)propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;formamide;2-methylpropane is sourced from PubChem (CID 143581102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).