2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

C18H30N4O4 — CID 55520354

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)CN1C(=O)NC2(CCCC2)C1=O)N1CCOCC1
InChIInChI=1S/C18H30N4O4/c1-13(2)14(21-7-9-26-10-8-21)11-19-15(23)12-22-16(24)18(20-17(22)25)5-3-4-6-18/h13-14H,3-12H2,1-2H3,(H,19,23)(H,20,25)
InChIKeySHLPHUOWWACDBR-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.32
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (PubChem CID 55520354) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
PubChem CID55520354
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)CN1C(=O)NC2(CCCC2)C1=O)N1CCOCC1
InChIInChI=1S/C18H30N4O4/c1-13(2)14(21-7-9-26-10-8-21)11-19-15(23)12-22-16(24)18(20-17(22)25)5-3-4-6-18/h13-14H,3-12H2,1-2H3,(H,19,23)(H,20,25)
InChIKeySHLPHUOWWACDBR-UHFFFAOYSA-N
XLogP0.32
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.32
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-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (CID 55520354) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is CC(C)C(CNC(=O)CN1C(=O)NC2(CCCC2)C1=O)N1CCOCC1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The InChIKey is SHLPHUOWWACDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-13(2)14(21-7-9-26-10-8-21)11-19-15(23)12-22-16(24)18(20-17(22)25)5-3-4-6-18/h13-14H,3-12H2,1-2H3,(H,19,23)(H,20,25).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide has a molecular weight of 366.46 g/mol, XLogP of 0.32, 6 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-(3-methyl-2-morpholin-4-ylbutyl)acetamide is sourced from PubChem (CID 55520354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).