1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione

C19H30N2O3 — CID 12935

IUPAC1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H30N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h14-16H,2-13H2,1H3
InChIKeyNCDGATZHWKMLQV-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.86
Rot. Bonds4

About 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione

1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 12935) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID12935
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H30N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h14-16H,2-13H2,1H3
InChIKeyNCDGATZHWKMLQV-UHFFFAOYSA-N
XLogP3.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione (CID 12935) is 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NCDGATZHWKMLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h14-16H,2-13H2,1H3.
What are the key properties of 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 334.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).