5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

C21H26N2O4 — CID 3449151

IUPAC5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)Oc1ccccc1C=C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H26N2O4/c1-3-14(2)27-18-12-8-7-9-15(18)13-17-19(24)22-21(26)23(20(17)25)16-10-5-4-6-11-16/h7-9,12-14,16H,3-6,10-11H2,1-2H3,(H,22,24,26)
InChIKeyHKXOQIDJOHHLQS-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.66
Rot. Bonds5

About 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione (PubChem CID 3449151) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
PubChem CID3449151
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)Oc1ccccc1C=C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H26N2O4/c1-3-14(2)27-18-12-8-7-9-15(18)13-17-19(24)22-21(26)23(20(17)25)16-10-5-4-6-11-16/h7-9,12-14,16H,3-6,10-11H2,1-2H3,(H,22,24,26)
InChIKeyHKXOQIDJOHHLQS-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione 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

(5E)-5-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 7357068
1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4202872
(5Z)-5-[(2-butan-2-yloxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 46741772
5-[(2-butan-2-yloxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 5243341
1-cyclohexyl-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3309991
(5E)-5-[[2-[(2S)-butan-2-yl]oxyphenyl]methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione
CID 126095219
1-cyclohexyl-5-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3719920
(5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126200752
(5Z)-5-[[2-[(2S)-butan-2-yl]oxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7333740
(5E)-1-cyclohexyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1380858
(5E)-1-cyclohexyl-5-[(1-propylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1400750
1-cyclohexyl-5-[(1-ethylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5181074

Frequently Asked Questions

What is the IUPAC name of 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione (CID 3449151) is 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione is CCC(C)Oc1ccccc1C=C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is HKXOQIDJOHHLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-14(2)27-18-12-8-7-9-15(18)13-17-19(24)22-21(26)23(20(17)25)16-10-5-4-6-11-16/h7-9,12-14,16H,3-6,10-11H2,1-2H3,(H,22,24,26).
What are the key properties of 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 370.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3449151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).