2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C20H23F3N4O4 — CID 2420824

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H23F3N4O4/c21-20(22,23)13-3-4-15(26-7-9-31-10-8-26)14(11-13)24-16(28)12-27-17(29)19(25-18(27)30)5-1-2-6-19/h3-4,11H,1-2,5-10,12H2,(H,24,28)(H,25,30)
InChIKeyWICRXWJOBXXOLK-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.35
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2420824) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2420824
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H23F3N4O4/c21-20(22,23)13-3-4-15(26-7-9-31-10-8-26)14(11-13)24-16(28)12-27-17(29)19(25-18(27)30)5-1-2-6-19/h3-4,11H,1-2,5-10,12H2,(H,24,28)(H,25,30)
InChIKeyWICRXWJOBXXOLK-UHFFFAOYSA-N
XLogP2.35
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.35
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-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 2420824) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WICRXWJOBXXOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c21-20(22,23)13-3-4-15(26-7-9-31-10-8-26)14(11-13)24-16(28)12-27-17(29)19(25-18(27)30)5-1-2-6-19/h3-4,11H,1-2,5-10,12H2,(H,24,28)(H,25,30).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 440.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2420824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).