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

C19H29N3O3 — CID 17413640

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C19H29N3O3/c1-4-18(5-2,6-3)20-15(23)14-22-16(24)19(21-17(22)25)12-10-8-7-9-11-13-19/h1H,5-14H2,2-3H3,(H,20,23)(H,21,25)
InChIKeyVBXLWZSTLZLZIN-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.33
Rot. Bonds5

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

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide (PubChem CID 17413640) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
PubChem CID17413640
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C19H29N3O3/c1-4-18(5-2,6-3)20-15(23)14-22-16(24)19(21-17(22)25)12-10-8-7-9-11-13-19/h1H,5-14H2,2-3H3,(H,20,23)(H,21,25)
InChIKeyVBXLWZSTLZLZIN-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578448
N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41194124
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17455990
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119570020
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide;hydrochloride
CID 119606902
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(methylcarbamoyl)acetamide
CID 2633637
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide (CID 17413640) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide is C#CC(CC)(CC)NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
The InChIKey is VBXLWZSTLZLZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-18(5-2,6-3)20-15(23)14-22-16(24)19(21-17(22)25)12-10-8-7-9-11-13-19/h1H,5-14H2,2-3H3,(H,20,23)(H,21,25).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.33, 5 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-ethylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 17413640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).