4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide

C22H31N3O4 — CID 8873646

IUPAC4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C22H31N3O4/c1-21(2,3)16-9-11-17(12-10-16)29-15-7-8-18(26)24-25-19(27)22(23-20(25)28)13-5-4-6-14-22/h9-12H,4-8,13-15H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyYZYAPNUNEBHDGX-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.43
Rot. Bonds6

About 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide

4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide (PubChem CID 8873646) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
PubChem CID8873646
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C22H31N3O4/c1-21(2,3)16-9-11-17(12-10-16)29-15-7-8-18(26)24-25-19(27)22(23-20(25)28)13-5-4-6-14-22/h9-12H,4-8,13-15H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyYZYAPNUNEBHDGX-UHFFFAOYSA-N
XLogP3.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylphenoxy)butanamide
CID 8873650
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 9261679
3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24537070
2-(4-acetylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 47094171
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
CID 38416580
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18162292
3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 18086921
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500399
4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 19173677
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 7698948
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide (CID 8873646) is 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide is CC(C)(C)c1ccc(OCCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide?
The InChIKey is YZYAPNUNEBHDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-21(2,3)16-9-11-17(12-10-16)29-15-7-8-18(26)24-25-19(27)22(23-20(25)28)13-5-4-6-14-22/h9-12H,4-8,13-15H2,1-3H3,(H,23,28)(H,24,26).
What are the key properties of 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide?
4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide has a molecular weight of 401.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide is sourced from PubChem (CID 8873646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).