1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione

C16H20N2O3 — CID 115946971

IUPAC1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c1-2-7-13-14(19)17-16(21)18(15(13)20)11-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,17,19,21)
InChIKeyNHDWNPNXINFRGC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.11
Rot. Bonds6

About 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione

1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 115946971) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID115946971
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c1-2-7-13-14(19)17-16(21)18(15(13)20)11-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,17,19,21)
InChIKeyNHDWNPNXINFRGC-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione (CID 115946971) is 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(CCCc2ccccc2)C1=O.
What is the InChIKey of 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NHDWNPNXINFRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-7-13-14(19)17-16(21)18(15(13)20)11-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,17,19,21).
What are the key properties of 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione?
1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 288.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115946971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).