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

C15H19N3O4 — CID 4790928

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H19N3O4/c1-17(9-11-5-4-8-22-11)12(19)10-18-13(20)15(16-14(18)21)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,16,21)
InChIKeyINZFJVIUPYKWQH-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.10
Rot. Bonds4

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

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 4790928) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID4790928
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H19N3O4/c1-17(9-11-5-4-8-22-11)12(19)10-18-13(20)15(16-14(18)21)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,16,21)
InChIKeyINZFJVIUPYKWQH-UHFFFAOYSA-N
XLogP1.10
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 4591666
5-(2-Furyl)-5-methylimidazolidine-2,4-dione
CID 289051
1-(Furan-2-carbonyl)imidazolidin-2-one
CID 1266917
1-(Furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 2269367
1-[(N-acetylglycyl)(2-furylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3240475
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 16301230
2-[1-(3,4-difluorophenyl)ethylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 16333723
1-Furan-2-ylmethyl-3-[6-(3-furan-2-ylmethyl-ureido)-hexyl]-urea
CID 329036
N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 663976
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 664405
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 2962308

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide (CID 4790928) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is INZFJVIUPYKWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-17(9-11-5-4-8-22-11)12(19)10-18-13(20)15(16-14(18)21)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,16,21).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 305.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 4790928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).