[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C18H27N3O5 — CID 9101230

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESO=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCC1
InChIInChI=1S/C18H27N3O5/c22-14(19-13-7-3-1-2-4-8-13)12-26-15(23)11-21-16(24)18(20-17(21)25)9-5-6-10-18/h13H,1-12H2,(H,19,22)(H,20,25)
InChIKeyJEFQVGBPHHREBZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.23
Rot. Bonds5

About [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 9101230) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID9101230
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESO=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCC1
InChIInChI=1S/C18H27N3O5/c22-14(19-13-7-3-1-2-4-8-13)12-26-15(23)11-21-16(24)18(20-17(21)25)9-5-6-10-18/h13H,1-12H2,(H,19,22)(H,20,25)
InChIKeyJEFQVGBPHHREBZ-UHFFFAOYSA-N
XLogP1.23
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 9101230) is [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is JEFQVGBPHHREBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c22-14(19-13-7-3-1-2-4-8-13)12-26-15(23)11-21-16(24)18(20-17(21)25)9-5-6-10-18/h13H,1-12H2,(H,19,22)(H,20,25).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 365.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 9101230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).