1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane

C120H160N10O15 — CID 158655341

IUPAC1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CC(=O)N(CCCCc2ccccc2)C(=O)N1CCCCc1ccccc1.O=C1CC(=O)N(CCCc2ccccc2)C(=O)N1CCCc1ccccc1.O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1.O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1CC(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H28N2O3.C22H24N2O3.C20H20N2O3.C18H16N2O3.C16H12N2O3.10C2H6/c27-22-19-23(28)26(18-10-8-16-21-13-5-2-6-14-21)24(29)25(22)17-9-7-15-20-11-3-1-4-12-20;25-20-17-21(26)24(16-8-14-19-11-5-2-6-12-19)22(27)23(20)15-7-13-18-9-3-1-4-10-18;23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16;21-16-11-17(22)20(13-15-9-5-2-6-10-15)18(23)19(16)12-14-7-3-1-4-8-14;19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12;10*1-2/h1-6,11-14H,7-10,15-19H2;1-6,9-12H,7-8,13-17H2;1-10H,11-15H2;1-10H,11-13H2;1-10H,11H2;10*1-2H3
InChIKeyICBGFIJSOVPIGE-UHFFFAOYSA-N
MW1982.65 g/mol
LogP25.70
Rot. Bonds30

About 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane

1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane (PubChem CID 158655341) has the molecular formula C120H160N10O15 and a molecular weight of 1982.65 g/mol. Its IUPAC name is 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane.

Molecular Properties

Compound Name1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane
PubChem CID158655341
Molecular FormulaC120H160N10O15
Molecular Weight1982.65 g/mol
Exact Mass1981.21
IUPAC Name1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CC(=O)N(CCCCc2ccccc2)C(=O)N1CCCCc1ccccc1.O=C1CC(=O)N(CCCc2ccccc2)C(=O)N1CCCc1ccccc1.O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1.O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1CC(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H28N2O3.C22H24N2O3.C20H20N2O3.C18H16N2O3.C16H12N2O3.10C2H6/c27-22-19-23(28)26(18-10-8-16-21-13-5-2-6-14-21)24(29)25(22)17-9-7-15-20-11-3-1-4-12-20;25-20-17-21(26)24(16-8-14-19-11-5-2-6-12-19)22(27)23(20)15-7-13-18-9-3-1-4-10-18;23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16;21-16-11-17(22)20(13-15-9-5-2-6-10-15)18(23)19(16)12-14-7-3-1-4-8-14;19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12;10*1-2/h1-6,11-14H,7-10,15-19H2;1-6,9-12H,7-8,13-17H2;1-10H,11-15H2;1-10H,11-13H2;1-10H,11H2;10*1-2H3
InChIKeyICBGFIJSOVPIGE-UHFFFAOYSA-N
XLogP25.70
TPSA288.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001982.65
LogP ≤ 525.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane with MolForge

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

Launch Full Analysis

Related Compounds

1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione
CID 68636226
1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione
CID 157074952
1-[4-methyl-5-(2,4,6-trioxo-3-phenyl-1,3-diazinan-1-yl)pentyl]-3-phenyl-1,3-diazinane-2,4,6-trione
CID 121308880
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937766
1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione
CID 69498256
1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 23008694
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 158593528
1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 21131332
1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 162113175
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane?
The IUPAC name of 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane (CID 158655341) is 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane.
What is the SMILES notation for 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane?
The canonical SMILES for 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CC(=O)N(CCCCc2ccccc2)C(=O)N1CCCCc1ccccc1.O=C1CC(=O)N(CCCc2ccccc2)C(=O)N1CCCc1ccccc1.O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1.O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1CC(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane?
The InChIKey is ICBGFIJSOVPIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.C22H24N2O3.C20H20N2O3.C18H16N2O3.C16H12N2O3.10C2H6/c27-22-19-23(28)26(18-10-8-16-21-13-5-2-6-14-21)24(29)25(22)17-9-7-15-20-11-3-1-4-12-20;25-20-17-21(26)24(16-8-14-19-11-5-2-6-12-19)22(27)23(20)15-7-13-18-9-3-1-4-10-18;23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16;21-16-11-17(22)20(13-15-9-5-2-6-10-15)18(23)19(16)12-14-7-3-1-4-8-14;19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12;10*1-2/h1-6,11-14H,7-10,15-19H2;1-6,9-12H,7-8,13-17H2;1-10H,11-15H2;1-10H,11-13H2;1-10H,11H2;10*1-2H3.
What are the key properties of 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane?
1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane has a molecular weight of 1982.65 g/mol, XLogP of 25.70, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane is sourced from PubChem (CID 158655341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).