N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide

C21H26FN3O4 — CID 46483879

IUPACN-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1F
InChIInChI=1S/C21H26FN3O4/c1-14(26)23-11-8-15-6-7-16(12-17(15)22)18(27)13-25-19(28)21(24-20(25)29)9-4-2-3-5-10-21/h6-7,12H,2-5,8-11,13H2,1H3,(H,23,26)(H,24,29)
InChIKeyHOVUCXDUEMASFL-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.33
Rot. Bonds6

About N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide

N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide (PubChem CID 46483879) has the molecular formula C21H26FN3O4 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide
PubChem CID46483879
Molecular FormulaC21H26FN3O4
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1F
InChIInChI=1S/C21H26FN3O4/c1-14(26)23-11-8-15-6-7-16(12-17(15)22)18(27)13-25-19(28)21(24-20(25)29)9-4-2-3-5-10-21/h6-7,12H,2-5,8-11,13H2,1H3,(H,23,26)(H,24,29)
InChIKeyHOVUCXDUEMASFL-UHFFFAOYSA-N
XLogP2.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide
CID 52618242
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide
CID 9390123
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297
3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710899
N-[2-[4-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]ethyl]acetamide
CID 9438825
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17413736
3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51113723
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 138997783
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 42982609

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide (CID 46483879) is N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1F.
What is the InChIKey of N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide?
The InChIKey is HOVUCXDUEMASFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4/c1-14(26)23-11-8-15-6-7-16(12-17(15)22)18(27)13-25-19(28)21(24-20(25)29)9-4-2-3-5-10-21/h6-7,12H,2-5,8-11,13H2,1H3,(H,23,26)(H,24,29).
What are the key properties of N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide?
N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide has a molecular weight of 403.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide is sourced from PubChem (CID 46483879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).