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

C20H19ClN2O3 — CID 52937861

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H19ClN2O3/c21-17-8-6-16(7-9-17)11-13-23-19(25)14-18(24)22(20(23)26)12-10-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyRNQQXBVZRMSIAN-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.31
Rot. Bonds6

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

1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 52937861) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID52937861
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H19ClN2O3/c21-17-8-6-16(7-9-17)11-13-23-19(25)14-18(24)22(20(23)26)12-10-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyRNQQXBVZRMSIAN-UHFFFAOYSA-N
XLogP3.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.31
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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Related Compounds

1,3-bis(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2187415
1,3-Bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione
CID 49805860
1-Octyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937765
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851906
Mls002704122
CID 268729
1-(2-phenylethyl)-3-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 21307390
1,3-Bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
CID 49805859
5-[(2,6-Dichlorophenyl)methylidene]-1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52936340
1,3-Bis[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 52937564
1,3-Bis[2-(3-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 52937666
1,3-Bis[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 52937667
1,3-Bis[2-(3-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 52937668

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione (CID 52937861) is 1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(CCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is RNQQXBVZRMSIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-17-8-6-16(7-9-17)11-13-23-19(25)14-18(24)22(20(23)26)12-10-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 370.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 52937861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).