N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H26FN3O3 — CID 51189981

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C20H26FN3O3/c1-3-23(12-15-8-6-9-16(21)11-15)17(25)13-24-18(26)20(22-19(24)27)10-5-4-7-14(20)2/h6,8-9,11,14H,3-5,7,10,12-13H2,1-2H3,(H,22,27)
InChIKeyVMIZWRKUQAVMNU-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.67
Rot. Bonds5

About N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 51189981) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID51189981
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C20H26FN3O3/c1-3-23(12-15-8-6-9-16(21)11-15)17(25)13-24-18(26)20(22-19(24)27)10-5-4-7-14(20)2/h6,8-9,11,14H,3-5,7,10,12-13H2,1-2H3,(H,22,27)
InChIKeyVMIZWRKUQAVMNU-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.67
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

(5R,6S)-3-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31281288
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955970
N-ethyl-N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51196058
N-ethyl-N-(4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7875413
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571722
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177344
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 18201411
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 78727003
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571645
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
CID 78784211
N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 51592951
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46653313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 51189981) is N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC2(CCCCC2C)C1=O.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is VMIZWRKUQAVMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-3-23(12-15-8-6-9-16(21)11-15)17(25)13-24-18(26)20(22-19(24)27)10-5-4-7-14(20)2/h6,8-9,11,14H,3-5,7,10,12-13H2,1-2H3,(H,22,27).
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 375.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 51189981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).