N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide

C24H32FN3O3 — CID 46632464

IUPACN-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C1NC2(CCCCC2)C(=O)N1CCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C24H32FN3O3/c25-19-11-9-18(10-12-19)17-28(20-7-3-1-4-8-20)21(29)13-16-27-22(30)24(26-23(27)31)14-5-2-6-15-24/h9-12,20H,1-8,13-17H2,(H,26,31)
InChIKeyDGCFASZSJDUBKC-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.13
Rot. Bonds6

About N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide

N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 46632464) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID46632464
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC NameN-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C1NC2(CCCCC2)C(=O)N1CCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C24H32FN3O3/c25-19-11-9-18(10-12-19)17-28(20-7-3-1-4-8-20)21(29)13-16-27-22(30)24(26-23(27)31)14-5-2-6-15-24/h9-12,20H,1-8,13-17H2,(H,26,31)
InChIKeyDGCFASZSJDUBKC-UHFFFAOYSA-N
XLogP4.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 34578471
N-cyclohexyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 7568278
3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9285759
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 46606498
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 17453320
N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17430818
N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40843146
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 51951531
N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide
CID 55993066
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-ylpropanamide
CID 30100026
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide (CID 46632464) is N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide is O=C1NC2(CCCCC2)C(=O)N1CCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is DGCFASZSJDUBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c25-19-11-9-18(10-12-19)17-28(20-7-3-1-4-8-20)21(29)13-16-27-22(30)24(26-23(27)31)14-5-2-6-15-24/h9-12,20H,1-8,13-17H2,(H,26,31).
What are the key properties of N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 429.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 46632464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).