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

C16H19N3O3 — CID 2437068

IUPACN-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1
InChIInChI=1S/C16H19N3O3/c20-13(17-10-12-6-2-1-3-7-12)11-19-14(21)16(18-15(19)22)8-4-5-9-16/h1-3,6-7H,4-5,8-11H2,(H,17,20)(H,18,22)
InChIKeyILGDHEUBMJDDNA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.17
Rot. Bonds4

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

N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 2437068) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID2437068
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1
InChIInChI=1S/C16H19N3O3/c20-13(17-10-12-6-2-1-3-7-12)11-19-14(21)16(18-15(19)22)8-4-5-9-16/h1-3,6-7H,4-5,8-11H2,(H,17,20)(H,18,22)
InChIKeyILGDHEUBMJDDNA-UHFFFAOYSA-N
XLogP1.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 2437068) is N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is ILGDHEUBMJDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-13(17-10-12-6-2-1-3-7-12)11-19-14(21)16(18-15(19)22)8-4-5-9-16/h1-3,6-7H,4-5,8-11H2,(H,17,20)(H,18,22).
What are the key properties of N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 2437068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).