4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide

C20H27N3O3 — CID 8732916

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C20H27N3O3/c1-14(2)15-7-5-8-16(13-15)21-17(24)9-6-12-23-18(25)20(22-19(23)26)10-3-4-11-20/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyOLUQAWALMFWFGZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.39
Rot. Bonds6

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide (PubChem CID 8732916) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide
PubChem CID8732916
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C20H27N3O3/c1-14(2)15-7-5-8-16(13-15)21-17(24)9-6-12-23-18(25)20(22-19(23)26)10-3-4-11-20/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyOLUQAWALMFWFGZ-UHFFFAOYSA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.39
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-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide
CID 17446914
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide
CID 18151070
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 18192866
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylbutanamide
CID 17429861
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 18151188
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 17413483
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 51214574
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide
CID 32638596
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 24565725

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide (CID 8732916) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide is CC(C)c1cccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide?
The InChIKey is OLUQAWALMFWFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)15-7-5-8-16(13-15)21-17(24)9-6-12-23-18(25)20(22-19(23)26)10-3-4-11-20/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide has a molecular weight of 357.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 8732916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).