[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

C22H22N4O7 — CID 16533736

IUPAC[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C22H22N4O7/c27-17(25-26-20(30)22(24-21(26)31)10-4-1-5-11-22)13-33-19(29)14-7-2-3-8-15(14)23-18(28)16-9-6-12-32-16/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,28)(H,24,31)(H,25,27)
InChIKeyCINASOHGMBDBLX-UHFFFAOYSA-N
MW454.44 g/mol
LogP1.97
Rot. Bonds6

About [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 16533736) has the molecular formula C22H22N4O7 and a molecular weight of 454.44 g/mol. Its IUPAC name is [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
PubChem CID16533736
Molecular FormulaC22H22N4O7
Molecular Weight454.44 g/mol
Exact Mass454.15
IUPAC Name[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C22H22N4O7/c27-17(25-26-20(30)22(24-21(26)31)10-4-1-5-11-22)13-33-19(29)14-7-2-3-8-15(14)23-18(28)16-9-6-12-32-16/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,28)(H,24,31)(H,25,27)
InChIKeyCINASOHGMBDBLX-UHFFFAOYSA-N
XLogP1.97
TPSA147.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 7873242
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891326
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8526467
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] benzoate
CID 7874358
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523744
[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440293
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525387
4-O-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239618
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 8578947

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (CID 16533736) is [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is CINASOHGMBDBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O7/c27-17(25-26-20(30)22(24-21(26)31)10-4-1-5-11-22)13-33-19(29)14-7-2-3-8-15(14)23-18(28)16-9-6-12-32-16/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,28)(H,24,31)(H,25,27).
What are the key properties of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate has a molecular weight of 454.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 16533736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).