N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide

C9H13N3O4 — CID 112597940

IUPACN,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
SMILESCC(C(=O)N(C)C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C9H13N3O4/c1-5(8(15)11(2)3)12-7(14)4-6(13)10-9(12)16/h5H,4H2,1-3H3,(H,10,13,16)
InChIKeyRDTXAUSSKZAUFK-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.07
Rot. Bonds2

About N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide

N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide (PubChem CID 112597940) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
PubChem CID112597940
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
SMILESCC(C(=O)N(C)C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C9H13N3O4/c1-5(8(15)11(2)3)12-7(14)4-6(13)10-9(12)16/h5H,4H2,1-3H3,(H,10,13,16)
InChIKeyRDTXAUSSKZAUFK-UHFFFAOYSA-N
XLogP-1.07
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.07
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide?
The IUPAC name of N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide (CID 112597940) is N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide?
The canonical SMILES for N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide is CC(C(=O)N(C)C)N1C(=O)CC(=O)NC1=O.
What is the InChIKey of N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide?
The InChIKey is RDTXAUSSKZAUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5(8(15)11(2)3)12-7(14)4-6(13)10-9(12)16/h5H,4H2,1-3H3,(H,10,13,16).
What are the key properties of N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide?
N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide has a molecular weight of 227.22 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide is sourced from PubChem (CID 112597940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).