2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide

C28H47FN4O3 — CID 123398964

IUPAC2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(CCC1CCCCC1)C(=O)N1CCCC2(C1)C(=O)NCC2C1CCC(F)CC1
InChIInChI=1S/C28H47FN4O3/c1-27(2,30)25(35)32-23(14-9-19-7-4-3-5-8-19)24(34)33-16-6-15-28(18-33)22(17-31-26(28)36)20-10-12-21(29)13-11-20/h19-23H,3-18,30H2,1-2H3,(H,31,36)(H,32,35)
InChIKeySRKWHVMURMUBFG-UHFFFAOYSA-N
MW506.71 g/mol
LogP3.45
Rot. Bonds7

About 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide

2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide (PubChem CID 123398964) has the molecular formula C28H47FN4O3 and a molecular weight of 506.71 g/mol. Its IUPAC name is 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide
PubChem CID123398964
Molecular FormulaC28H47FN4O3
Molecular Weight506.71 g/mol
Exact Mass506.36
IUPAC Name2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(CCC1CCCCC1)C(=O)N1CCCC2(C1)C(=O)NCC2C1CCC(F)CC1
InChIInChI=1S/C28H47FN4O3/c1-27(2,30)25(35)32-23(14-9-19-7-4-3-5-8-19)24(34)33-16-6-15-28(18-33)22(17-31-26(28)36)20-10-12-21(29)13-11-20/h19-23H,3-18,30H2,1-2H3,(H,31,36)(H,32,35)
InChIKeySRKWHVMURMUBFG-UHFFFAOYSA-N
XLogP3.45
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.71
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide (CID 123398964) is 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)NC(CCC1CCCCC1)C(=O)N1CCCC2(C1)C(=O)NCC2C1CCC(F)CC1.
What is the InChIKey of 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
The InChIKey is SRKWHVMURMUBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47FN4O3/c1-27(2,30)25(35)32-23(14-9-19-7-4-3-5-8-19)24(34)33-16-6-15-28(18-33)22(17-31-26(28)36)20-10-12-21(29)13-11-20/h19-23H,3-18,30H2,1-2H3,(H,31,36)(H,32,35).
What are the key properties of 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide has a molecular weight of 506.71 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-cyclohexyl-1-[4-(4-fluorocyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-1-oxobutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 123398964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).