N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C23H33N3O3 — CID 31284210

IUPACN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C23H33N3O3/c1-15-12-17(22(3,4)5)13-16(2)18(15)8-11-24-19(27)14-26-20(28)23(25-21(26)29)9-6-7-10-23/h12-13H,6-11,14H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyKXDJSMHGCVTQOO-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 31284210) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID31284210
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C23H33N3O3/c1-15-12-17(22(3,4)5)13-16(2)18(15)8-11-24-19(27)14-26-20(28)23(25-21(26)29)9-6-7-10-23/h12-13H,6-11,14H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyKXDJSMHGCVTQOO-UHFFFAOYSA-N
XLogP3.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55877167
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 9261679
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119548393
N-tert-butyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578448
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119405447
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022719
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 31284210) is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is KXDJSMHGCVTQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-15-12-17(22(3,4)5)13-16(2)18(15)8-11-24-19(27)14-26-20(28)23(25-21(26)29)9-6-7-10-23/h12-13H,6-11,14H2,1-5H3,(H,24,27)(H,25,29).
What are the key properties of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 31284210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).