2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide

C17H24N4O4 — CID 71872400

IUPAC2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCC(C)N1C(=O)NC2(CCN(CC(=O)N(C)Cc3ccco3)C2)C1=O
InChIInChI=1S/C17H24N4O4/c1-12(2)21-15(23)17(18-16(21)24)6-7-20(11-17)10-14(22)19(3)9-13-5-4-8-25-13/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,18,24)
InChIKeyNKKGQUSSKAIUOM-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.64
Rot. Bonds5

About 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide

2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 71872400) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID71872400
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCC(C)N1C(=O)NC2(CCN(CC(=O)N(C)Cc3ccco3)C2)C1=O
InChIInChI=1S/C17H24N4O4/c1-12(2)21-15(23)17(18-16(21)24)6-7-20(11-17)10-14(22)19(3)9-13-5-4-8-25-13/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,18,24)
InChIKeyNKKGQUSSKAIUOM-UHFFFAOYSA-N
XLogP0.64
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
CID 129484094
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
1-[furan-2-ylmethyl(methyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983695
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 2555447
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
N-(furan-2-ylmethyl)-N-methyl-2-[(3S)-3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]acetamide
CID 95780908
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
2-(3-aminobutylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66234187
N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 47023476

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide (CID 71872400) is 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide is CC(C)N1C(=O)NC2(CCN(CC(=O)N(C)Cc3ccco3)C2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is NKKGQUSSKAIUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12(2)21-15(23)17(18-16(21)24)6-7-20(11-17)10-14(22)19(3)9-13-5-4-8-25-13/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,18,24).
What are the key properties of 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 348.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 71872400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).