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

C17H21N3O3 — CID 2105144

IUPACN-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H21N3O3/c1-19(11-13-7-3-2-4-8-13)14(21)12-20-15(22)17(18-16(20)23)9-5-6-10-17/h2-4,7-8H,5-6,9-12H2,1H3,(H,18,23)
InChIKeyVEGHHCMGURQIEJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.51
Rot. Bonds4

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

N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (PubChem CID 2105144) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
PubChem CID2105144
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H21N3O3/c1-19(11-13-7-3-2-4-8-13)14(21)12-20-15(22)17(18-16(20)23)9-5-6-10-17/h2-4,7-8H,5-6,9-12H2,1H3,(H,18,23)
InChIKeyVEGHHCMGURQIEJ-UHFFFAOYSA-N
XLogP1.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
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)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (CID 2105144) is N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The InChIKey is VEGHHCMGURQIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19(11-13-7-3-2-4-8-13)14(21)12-20-15(22)17(18-16(20)23)9-5-6-10-17/h2-4,7-8H,5-6,9-12H2,1H3,(H,18,23).
What are the key properties of N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide has a molecular weight of 315.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 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)-N-methylacetamide is sourced from PubChem (CID 2105144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).