N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C24H33F2N3O4 — CID 24978771

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)C2=O
InChIInChI=1S/C24H33F2N3O4/c1-5-23(2,3)17-10-12-24(13-11-17)20(31)29(22(32)27-24)15-19(30)28(4)14-16-6-8-18(9-7-16)33-21(25)26/h6-9,17,21H,5,10-15H2,1-4H3,(H,27,32)
InChIKeyNPDDKSKOJBQUAZ-UHFFFAOYSA-N
MW465.54 g/mol
LogP4.16
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 24978771) has the molecular formula C24H33F2N3O4 and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID24978771
Molecular FormulaC24H33F2N3O4
Molecular Weight465.54 g/mol
Exact Mass465.24
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)C2=O
InChIInChI=1S/C24H33F2N3O4/c1-5-23(2,3)17-10-12-24(13-11-17)20(31)29(22(32)27-24)15-19(30)28(4)14-16-6-8-18(9-7-16)33-21(25)26/h6-9,17,21H,5,10-15H2,1-4H3,(H,27,32)
InChIKeyNPDDKSKOJBQUAZ-UHFFFAOYSA-N
XLogP4.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide with MolForge

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Related Compounds

5-(4-Butoxyphenyl)-2-hydroxy-3,5-dimethyl-3,5-dihydro-4H-imidazol-4-one
CID 3077547
5,5-Bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 2339366
Idanpramine
CID 58521
Cyclohexylalanine derived inhibitor, 22
CID 23647724
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2483511
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2550380
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3984307
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 16229687
N-(1-Cyanocyclohexyl)-2-(4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16322384
3-[2-(Dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methyl-2,4-imidazolidinedione
CID 547159
Ropitoin Hydrochloride
CID 41737
2,4-Imidazolidinedione, 3,5-dimethyl-5-(4-(2-methylpropoxy)phenyl)-
CID 3077548

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 24978771) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)C2=O.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is NPDDKSKOJBQUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O4/c1-5-23(2,3)17-10-12-24(13-11-17)20(31)29(22(32)27-24)15-19(30)28(4)14-16-6-8-18(9-7-16)33-21(25)26/h6-9,17,21H,5,10-15H2,1-4H3,(H,27,32).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 465.54 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 24978771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).