2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide

C20H27N3O3 — CID 2583474

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1
InChIInChI=1S/C20H27N3O3/c1-2-15-9-8-10-16(13-15)21-17(24)14-23-18(25)20(22-19(23)26)11-6-4-3-5-7-12-20/h8-10,13H,2-7,11-12,14H2,1H3,(H,21,24)(H,22,26)
InChIKeyQZMWIKRHYGFVIO-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.22
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide (PubChem CID 2583474) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide
PubChem CID2583474
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1
InChIInChI=1S/C20H27N3O3/c1-2-15-9-8-10-16(13-15)21-17(24)14-23-18(25)20(22-19(23)26)11-6-4-3-5-7-12-20/h8-10,13H,2-7,11-12,14H2,1H3,(H,21,24)(H,22,26)
InChIKeyQZMWIKRHYGFVIO-UHFFFAOYSA-N
XLogP3.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide (CID 2583474) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide?
The InChIKey is QZMWIKRHYGFVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-15-9-8-10-16(13-15)21-17(24)14-23-18(25)20(22-19(23)26)11-6-4-3-5-7-12-20/h8-10,13H,2-7,11-12,14H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 2583474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).