N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide

C13H19N3O4 — CID 115947283

IUPACN,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
SMILESCN(C)C(=O)CCN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C13H19N3O4/c1-15(2)9(17)5-8-16-11(19)13(6-3-4-7-13)10(18)14-12(16)20/h3-8H2,1-2H3,(H,14,18,20)
InChIKeyXVOBYRWBJCXSFA-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.10
Rot. Bonds3

About N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide

N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide (PubChem CID 115947283) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
PubChem CID115947283
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
SMILESCN(C)C(=O)CCN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C13H19N3O4/c1-15(2)9(17)5-8-16-11(19)13(6-3-4-7-13)10(18)14-12(16)20/h3-8H2,1-2H3,(H,14,18,20)
InChIKeyXVOBYRWBJCXSFA-UHFFFAOYSA-N
XLogP0.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-[2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)ethyl]urea
CID 115949102
2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
CID 115949105
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599987
7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598522
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452
9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947657
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 106276993

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide (CID 115947283) is N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide is CN(C)C(=O)CCN1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide?
The InChIKey is XVOBYRWBJCXSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-15(2)9(17)5-8-16-11(19)13(6-3-4-7-13)10(18)14-12(16)20/h3-8H2,1-2H3,(H,14,18,20).
What are the key properties of N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide?
N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide has a molecular weight of 281.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide is sourced from PubChem (CID 115947283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).