3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide

C14H23N3O4 — CID 115947318

IUPAC3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C14H23N3O4/c1-4-8-15-10(18)7-9-17-12(20)14(5-2,6-3)11(19)16-13(17)21/h4-9H2,1-3H3,(H,15,18)(H,16,19,21)
InChIKeyHMZKPTCDHSNORP-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.79
Rot. Bonds7

About 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide

3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide (PubChem CID 115947318) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide
PubChem CID115947318
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C14H23N3O4/c1-4-8-15-10(18)7-9-17-12(20)14(5-2,6-3)11(19)16-13(17)21/h4-9H2,1-3H3,(H,15,18)(H,16,19,21)
InChIKeyHMZKPTCDHSNORP-UHFFFAOYSA-N
XLogP0.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide (CID 115947318) is 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide is CCCNC(=O)CCN1C(=O)NC(=O)C(CC)(CC)C1=O.
What is the InChIKey of 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide?
The InChIKey is HMZKPTCDHSNORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-8-15-10(18)7-9-17-12(20)14(5-2,6-3)11(19)16-13(17)21/h4-9H2,1-3H3,(H,15,18)(H,16,19,21).
What are the key properties of 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide?
3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide has a molecular weight of 297.36 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide is sourced from PubChem (CID 115947318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).