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

C19H23F2N3O4 — CID 7180851

IUPACN-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC(F)F)cc1)C2=O
InChIInChI=1S/C19H23F2N3O4/c1-2-12-7-9-19(10-8-12)16(26)24(18(27)23-19)11-15(25)22-13-3-5-14(6-4-13)28-17(20)21/h3-6,12,17H,2,7-11H2,1H3,(H,22,25)(H,23,27)
InChIKeyIAJXTNFELJRYED-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.12
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7180851) has the molecular formula C19H23F2N3O4 and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7180851
Molecular FormulaC19H23F2N3O4
Molecular Weight395.41 g/mol
Exact Mass395.17
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC(F)F)cc1)C2=O
InChIInChI=1S/C19H23F2N3O4/c1-2-12-7-9-19(10-8-12)16(26)24(18(27)23-19)11-15(25)22-13-3-5-14(6-4-13)28-17(20)21/h3-6,12,17H,2,7-11H2,1H3,(H,22,25)(H,23,27)
InChIKeyIAJXTNFELJRYED-UHFFFAOYSA-N
XLogP3.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.12
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-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2409969
3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180964
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579576
dimethyl 5-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 2443504
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119515474
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55468067
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119515473
N-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]hexanamide
CID 7180897
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590
N-[4-(difluoromethoxy)phenyl]-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2436781
2-(4-ethoxyphenoxy)-N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide
CID 55344117

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7180851) is N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC(F)F)cc1)C2=O.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is IAJXTNFELJRYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O4/c1-2-12-7-9-19(10-8-12)16(26)24(18(27)23-19)11-15(25)22-13-3-5-14(6-4-13)28-17(20)21/h3-6,12,17H,2,7-11H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 395.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7180851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).