1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione

C20H24N2O3 — CID 52937766

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C20H24N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1,3-4,7-9H,2,5-6,10-15H2
InChIKeyFFJMXGDMLXAJFF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione

1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 52937766) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID52937766
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C20H24N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1,3-4,7-9H,2,5-6,10-15H2
InChIKeyFFJMXGDMLXAJFF-UHFFFAOYSA-N
XLogP3.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione (CID 52937766) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is FFJMXGDMLXAJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1,3-4,7-9H,2,5-6,10-15H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 340.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 52937766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).