3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione

C102H93N13O15 — CID 167657669

IUPAC3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)N(c2ccc(Oc3ccccc3)c(C)c2)C(=O)N1c1ccc(OC)cc1.C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(CC)c2)C(=O)N1c1cccc(C)c1.C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(CC)c2)C(=O)N1c1ccccc1.C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(OCC(=O)N3CCCC3)c2)C(=O)N1c1cccc(C)c1
InChIInChI=1S/C29H28N4O5.C25H23N3O3.C24H21N3O4.C24H21N3O3/c1-20-9-8-10-22(17-20)32-21(2)30-28(35)33(29(32)36)23-13-14-25(38-24-11-4-3-5-12-24)26(18-23)37-19-27(34)31-15-6-7-16-31;1-4-19-16-21(13-14-23(19)31-22-11-6-5-7-12-22)28-24(29)26-18(3)27(25(28)30)20-10-8-9-17(2)15-20;1-16-15-19(11-14-22(16)31-21-7-5-4-6-8-21)27-23(28)25-17(2)26(24(27)29)18-9-12-20(30-3)13-10-18;1-3-18-16-20(14-15-22(18)30-21-12-8-5-9-13-21)27-23(28)25-17(2)26(24(27)29)19-10-6-4-7-11-19/h3-5,8-14,17-18H,2,6-7,15-16,19H2,1H3,(H,30,35);5-16H,3-4H2,1-2H3,(H,26,29);4-15H,2H2,1,3H3,(H,25,28);4-16H,2-3H2,1H3,(H,25,28)
InChIKeyRMPQVGDUIGROFH-UHFFFAOYSA-N
MW1740.94 g/mol
LogP22.49
Rot. Bonds22

About 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione

3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione (PubChem CID 167657669) has the molecular formula C102H93N13O15 and a molecular weight of 1740.94 g/mol. Its IUPAC name is 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione
PubChem CID167657669
Molecular FormulaC102H93N13O15
Molecular Weight1740.94 g/mol
Exact Mass1739.69
IUPAC Name3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)N(c2ccc(Oc3ccccc3)c(C)c2)C(=O)N1c1ccc(OC)cc1.C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(CC)c2)C(=O)N1c1cccc(C)c1.C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(CC)c2)C(=O)N1c1ccccc1.C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(OCC(=O)N3CCCC3)c2)C(=O)N1c1cccc(C)c1
InChIInChI=1S/C29H28N4O5.C25H23N3O3.C24H21N3O4.C24H21N3O3/c1-20-9-8-10-22(17-20)32-21(2)30-28(35)33(29(32)36)23-13-14-25(38-24-11-4-3-5-12-24)26(18-23)37-19-27(34)31-15-6-7-16-31;1-4-19-16-21(13-14-23(19)31-22-11-6-5-7-12-22)28-24(29)26-18(3)27(25(28)30)20-10-8-9-17(2)15-20;1-16-15-19(11-14-22(16)31-21-7-5-4-6-8-21)27-23(28)25-17(2)26(24(27)29)18-9-12-20(30-3)13-10-18;1-3-18-16-20(14-15-22(18)30-21-12-8-5-9-13-21)27-23(28)25-17(2)26(24(27)29)19-10-6-4-7-11-19/h3-5,8-14,17-18H,2,6-7,15-16,19H2,1H3,(H,30,35);5-16H,3-4H2,1-2H3,(H,26,29);4-15H,2H2,1,3H3,(H,25,28);4-16H,2-3H2,1H3,(H,25,28)
InChIKeyRMPQVGDUIGROFH-UHFFFAOYSA-N
XLogP22.49
TPSA286.29 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001740.94
LogP ≤ 522.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione with MolForge

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Related Compounds

1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrazol-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4,6-trione
CID 150687400
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
2-(2,4-dimethylphenoxy)-1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108543835
2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 27041250
2-(4-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 48867699
2-(4-chloro-2-methylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120423
1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione
CID 139434096
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-[4-[(Z)-C-benzyl-N-[(4-methoxyphenyl)methoxy]carbonimidoyl]-2-methylphenoxy]-1-piperidin-1-ylethanone
CID 72945957
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41162791
2-[2-(hydroxymethyl)-4-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 63325592

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione (CID 167657669) is 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione is C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(C)c2)C(=O)N1c1ccc(OC)cc1.C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(CC)c2)C(=O)N1c1cccc(C)c1.C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(CC)c2)C(=O)N1c1ccccc1.C=C1NC(=O)N(c2ccc(Oc3ccccc3)c(OCC(=O)N3CCCC3)c2)C(=O)N1c1cccc(C)c1.
What is the InChIKey of 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione?
The InChIKey is RMPQVGDUIGROFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O5.C25H23N3O3.C24H21N3O4.C24H21N3O3/c1-20-9-8-10-22(17-20)32-21(2)30-28(35)33(29(32)36)23-13-14-25(38-24-11-4-3-5-12-24)26(18-23)37-19-27(34)31-15-6-7-16-31;1-4-19-16-21(13-14-23(19)31-22-11-6-5-7-12-22)28-24(29)26-18(3)27(25(28)30)20-10-8-9-17(2)15-20;1-16-15-19(11-14-22(16)31-21-7-5-4-6-8-21)27-23(28)25-17(2)26(24(27)29)18-9-12-20(30-3)13-10-18;1-3-18-16-20(14-15-22(18)30-21-12-8-5-9-13-21)27-23(28)25-17(2)26(24(27)29)19-10-6-4-7-11-19/h3-5,8-14,17-18H,2,6-7,15-16,19H2,1H3,(H,30,35);5-16H,3-4H2,1-2H3,(H,26,29);4-15H,2H2,1,3H3,(H,25,28);4-16H,2-3H2,1H3,(H,25,28).
What are the key properties of 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione?
3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione has a molecular weight of 1740.94 g/mol, XLogP of 22.49, 22 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-(3-methylphenyl)-1,3,5-triazinane-2,4-dione;3-(3-ethyl-4-phenoxyphenyl)-6-methylidene-1-phenyl-1,3,5-triazinane-2,4-dione;1-(4-methoxyphenyl)-6-methylidene-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4-dione;6-methylidene-1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 167657669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).