N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide

C14H21N3O4 — CID 115948700

IUPACN-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide
SMILESCCCC1C(=O)NC(=O)N(CCCC(=O)NC2CC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-2-4-10-12(19)16-14(21)17(13(10)20)8-3-5-11(18)15-9-6-7-9/h9-10H,2-8H2,1H3,(H,15,18)(H,16,19,21)
InChIKeyHBHMCSPCVBNOQZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.54
Rot. Bonds7

About N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide

N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide (PubChem CID 115948700) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide
PubChem CID115948700
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide
SMILESCCCC1C(=O)NC(=O)N(CCCC(=O)NC2CC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-2-4-10-12(19)16-14(21)17(13(10)20)8-3-5-11(18)15-9-6-7-9/h9-10H,2-8H2,1H3,(H,15,18)(H,16,19,21)
InChIKeyHBHMCSPCVBNOQZ-UHFFFAOYSA-N
XLogP0.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
CID 106236626
2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethylurea
CID 112601615
2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide
CID 106236681
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034995
N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide
CID 79394599
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
N-cyclopropyl-4-(2-oxoimidazolidin-1-yl)butanamide
CID 115370774
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclododecylbutanamide
CID 8835252
4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclododecylbutanamide
CID 8835256
N-cycloheptyl-4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)butanamide
CID 6462146
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclooctylbutanamide
CID 8835283

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide?
The IUPAC name of N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide (CID 115948700) is N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide?
The canonical SMILES for N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide is CCCC1C(=O)NC(=O)N(CCCC(=O)NC2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide?
The InChIKey is HBHMCSPCVBNOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-4-10-12(19)16-14(21)17(13(10)20)8-3-5-11(18)15-9-6-7-9/h9-10H,2-8H2,1H3,(H,15,18)(H,16,19,21).
What are the key properties of N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide?
N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide has a molecular weight of 295.34 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide is sourced from PubChem (CID 115948700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).