N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide

C24H26FN3O4 — CID 123563209

IUPACN-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC3(C2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)cc1
InChIInChI=1S/C24H26FN3O4/c1-16-4-6-17(7-5-16)21(29)26-19-3-2-12-24(15-19)22(30)28(23(31)27-24)13-14-32-20-10-8-18(25)9-11-20/h4-11,19H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)
InChIKeyGKSSYJBOZZTUGN-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.18
Rot. Bonds6

About N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide

N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide (PubChem CID 123563209) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide
PubChem CID123563209
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC NameN-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC3(C2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)cc1
InChIInChI=1S/C24H26FN3O4/c1-16-4-6-17(7-5-16)21(29)26-19-3-2-12-24(15-19)22(30)28(23(31)27-24)13-14-32-20-10-8-18(25)9-11-20/h4-11,19H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)
InChIKeyGKSSYJBOZZTUGN-UHFFFAOYSA-N
XLogP3.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide?
The IUPAC name of N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide (CID 123563209) is N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide?
The canonical SMILES for N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCC3(C2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)cc1.
What is the InChIKey of N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide?
The InChIKey is GKSSYJBOZZTUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-16-4-6-17(7-5-16)21(29)26-19-3-2-12-24(15-19)22(30)28(23(31)27-24)13-14-32-20-10-8-18(25)9-11-20/h4-11,19H,2-3,12-15H2,1H3,(H,26,29)(H,27,31).
What are the key properties of N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide?
N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide has a molecular weight of 439.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl]-4-methylbenzamide is sourced from PubChem (CID 123563209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).