5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C146H177BrClIN10O23 — CID 163707140

About 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 163707140) has the molecular formula C146H177BrClIN10O23 and a molecular weight of 2682.33 g/mol. Its IUPAC name is 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• PubChem CID: 163707140
• Molecular Formula: C146H177BrClIN10O23
• Molecular Weight: 2682.33 g/mol
• Exact Mass: 2679.09
• IUPAC Name: 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• SMILES: C=C1CC(=O)/C(=C/c2c(OCCCCC3CCCCC3)ccc3ccccc23)C(=O)N1.C=C1CC(=O)/C(=C/c2cc(I)ccc2OCCCCC2CCCCC2)C(=O)N1.C=C1CC(=O)/C(=C\c2ccc(OCCCCC3CCCCC3)c3ccccc23)C(=O)N1.CN1C(=O)C(=Cc2ccc(OCCCCC3CCCCC3)c(Br)c2)C(=O)N(C)C1=O.CN1C(=O)C(=Cc2ccc(OCCCCC3CCCCC3)c(Cl)c2)C(=O)N(C)C1=O.CN1C(=O)C(=Cc2ccc(OCCCCC3CCCCC3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O
• InChI: InChI=1S/2C27H31NO3.C23H29BrN2O4.C23H29ClN2O4.C23H28INO3.C23H29N3O6/c1-19-17-25(29)24(27(30)28-19)18-21-14-15-26(23-13-6-5-12-22(21)23)31-16-8-7-11-20-9-3-2-4-10-20;1-19-17-25(29)24(27(30)28-19)18-23-22-13-6-5-12-21(22)14-15-26(23)31-16-8-7-11-20-9-3-2-4-10-20;2*1-25-21(27)18(22(28)26(2)23(25)29)14-17-11-12-20(19(24)15-17)30-13-7-6-10-16-8-4-3-5-9-16;1-16-13-21(26)20(23(27)25-16)15-18-14-19(24)10-11-22(18)28-12-6-5-9-17-7-3-2-4-8-17;1-24-21(27)18(22(28)25(2)23(24)29)14-17-11-12-20(19(15-17)26(30)31)32-13-7-6-10-16-8-4-3-5-9-16/h2*5-6,12-15,18,20H,1-4,7-11,16-17H2,(H,28,30);2*11-12,14-16H,3-10,13H2,1-2H3;10-11,14-15,17H,1-9,12-13H2,(H,25,27);11-12,14-16H,3-10,13H2,1-2H3/b24-18+;24-18-;;;20-15-
• InChIKey: KGBAHGQQQSIYGQ-BZQOWYMBSA-N
• XLogP: 31.39
• TPSA: 410.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 43
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2682.33
LogP ≤ 5	31.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?

The IUPAC name of 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 163707140) is 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

What is the SMILES notation for 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?

The canonical SMILES for 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is C=C1CC(=O)/C(=C/c2c(OCCCCC3CCCCC3)ccc3ccccc23)C(=O)N1.C=C1CC(=O)/C(=C/c2cc(I)ccc2OCCCCC2CCCCC2)C(=O)N1.C=C1CC(=O)/C(=C\c2ccc(OCCCCC3CCCCC3)c3ccccc23)C(=O)N1.CN1C(=O)C(=Cc2ccc(OCCCCC3CCCCC3)c(Br)c2)C(=O)N(C)C1=O.CN1C(=O)C(=Cc2ccc(OCCCCC3CCCCC3)c(Cl)c2)C(=O)N(C)C1=O.CN1C(=O)C(=Cc2ccc(OCCCCC3CCCCC3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O.

What is the InChIKey of 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?

The InChIKey is KGBAHGQQQSIYGQ-BZQOWYMBSA-N. The full InChI is InChI=1S/2C27H31NO3.C23H29BrN2O4.C23H29ClN2O4.C23H28INO3.C23H29N3O6/c1-19-17-25(29)24(27(30)28-19)18-21-14-15-26(23-13-6-5-12-22(21)23)31-16-8-7-11-20-9-3-2-4-10-20;1-19-17-25(29)24(27(30)28-19)18-23-22-13-6-5-12-21(22)14-15-26(23)31-16-8-7-11-20-9-3-2-4-10-20;2*1-25-21(27)18(22(28)26(2)23(25)29)14-17-11-12-20(19(24)15-17)30-13-7-6-10-16-8-4-3-5-9-16;1-16-13-21(26)20(23(27)25-16)15-18-14-19(24)10-11-22(18)28-12-6-5-9-17-7-3-2-4-8-17;1-24-21(27)18(22(28)25(2)23(24)29)14-17-11-12-20(19(15-17)26(30)31)32-13-7-6-10-16-8-4-3-5-9-16/h2*5-6,12-15,18,20H,1-4,7-11,16-17H2,(H,28,30);2*11-12,14-16H,3-10,13H2,1-2H3;10-11,14-15,17H,1-9,12-13H2,(H,25,27);11-12,14-16H,3-10,13H2,1-2H3/b24-18+;24-18-;;;20-15-;.

What are the key properties of 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?

5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 2682.33 g/mol, XLogP of 31.39, 43 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 163707140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).