ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate

C20H23N3O7 — CID 7822112

IUPACethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H23N3O7/c1-2-29-17(26)13-7-3-4-8-14(13)21-15(24)12-30-16(25)11-23-18(27)20(22-19(23)28)9-5-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,24)(H,22,28)
InChIKeyZFHGZQQZVNYYEW-UHFFFAOYSA-N
MW417.42 g/mol
LogP1.21
Rot. Bonds7

About ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate

ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7822112) has the molecular formula C20H23N3O7 and a molecular weight of 417.42 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate
PubChem CID7822112
Molecular FormulaC20H23N3O7
Molecular Weight417.42 g/mol
Exact Mass417.15
IUPAC Nameethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H23N3O7/c1-2-29-17(26)13-7-3-4-8-14(13)21-15(24)12-30-16(25)11-23-18(27)20(22-19(23)28)9-5-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,24)(H,22,28)
InChIKeyZFHGZQQZVNYYEW-UHFFFAOYSA-N
XLogP1.21
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate (CID 7822112) is ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is ZFHGZQQZVNYYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7/c1-2-29-17(26)13-7-3-4-8-14(13)21-15(24)12-30-16(25)11-23-18(27)20(22-19(23)28)9-5-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,24)(H,22,28).
What are the key properties of ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate?
ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 417.42 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7822112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).