1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione

C19H28N2O3 — CID 58322080

IUPAC1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione
SMILESCC(C)=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H28N2O3/c1-13(2)16-17(22)20(14-9-5-3-6-10-14)19(24)21(18(16)23)15-11-7-4-8-12-15/h14-15H,3-12H2,1-2H3
InChIKeyJZZUVUASJSGKLY-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.78
Rot. Bonds2

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

1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione (PubChem CID 58322080) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione
PubChem CID58322080
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione
SMILESCC(C)=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H28N2O3/c1-13(2)16-17(22)20(14-9-5-3-6-10-14)19(24)21(18(16)23)15-11-7-4-8-12-15/h14-15H,3-12H2,1-2H3
InChIKeyJZZUVUASJSGKLY-UHFFFAOYSA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione (CID 58322080) is 1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione is CC(C)=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione?
The InChIKey is JZZUVUASJSGKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)16-17(22)20(14-9-5-3-6-10-14)19(24)21(18(16)23)15-11-7-4-8-12-15/h14-15H,3-12H2,1-2H3.
What are the key properties of 1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione has a molecular weight of 332.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-propan-2-ylidene-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 58322080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).