4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide

C21H27N3O5 — CID 16573967

IUPAC4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C21H27N3O5/c1-3-29-16-6-4-15(5-7-16)17(25)8-9-18(26)23-24-19(27)21(22-20(24)28)12-10-14(2)11-13-21/h4-7,14H,3,8-13H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyGQXODFDMEVISBE-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.58
Rot. Bonds7

About 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide

4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide (PubChem CID 16573967) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide
PubChem CID16573967
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Name4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C21H27N3O5/c1-3-29-16-6-4-15(5-7-16)17(25)8-9-18(26)23-24-19(27)21(22-20(24)28)12-10-14(2)11-13-21/h4-7,14H,3,8-13H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyGQXODFDMEVISBE-UHFFFAOYSA-N
XLogP2.58
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7382167
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488860
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 8503480
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55343004
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011692
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24545871
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 9324450
4-(4-ethoxyphenyl)-4-oxo-N-(2-oxopiperidin-3-yl)butanamide
CID 51099351
4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide
CID 94799342
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24545847
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 16520781
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide (CID 16573967) is 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide?
The InChIKey is GQXODFDMEVISBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-3-29-16-6-4-15(5-7-16)17(25)8-9-18(26)23-24-19(27)21(22-20(24)28)12-10-14(2)11-13-21/h4-7,14H,3,8-13H2,1-2H3,(H,22,28)(H,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide has a molecular weight of 401.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide is sourced from PubChem (CID 16573967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).