1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione

C26H34N2O3 — CID 145129404

IUPAC1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCC1C=CC(C2C(=O)N(CCC3=CC(C)CC=C3)C(=O)N(C3CCCCC3)C2=O)=CC1
InChIInChI=1S/C26H34N2O3/c1-18-11-13-21(14-12-18)23-24(29)27(16-15-20-8-6-7-19(2)17-20)26(31)28(25(23)30)22-9-4-3-5-10-22/h6,8,11,13-14,17-19,22-23H,3-5,7,9-10,12,15-16H2,1-2H3
InChIKeyYYNKPQAGGSTLPP-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.16
Rot. Bonds5

About 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 145129404) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione
PubChem CID145129404
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCC1C=CC(C2C(=O)N(CCC3=CC(C)CC=C3)C(=O)N(C3CCCCC3)C2=O)=CC1
InChIInChI=1S/C26H34N2O3/c1-18-11-13-21(14-12-18)23-24(29)27(16-15-20-8-6-7-19(2)17-20)26(31)28(25(23)30)22-9-4-3-5-10-22/h6,8,11,13-14,17-19,22-23H,3-5,7,9-10,12,15-16H2,1-2H3
InChIKeyYYNKPQAGGSTLPP-UHFFFAOYSA-N
XLogP5.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione (CID 145129404) is 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione is CC1C=CC(C2C(=O)N(CCC3=CC(C)CC=C3)C(=O)N(C3CCCCC3)C2=O)=CC1.
What is the InChIKey of 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is YYNKPQAGGSTLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-18-11-13-21(14-12-18)23-24(29)27(16-15-20-8-6-7-19(2)17-20)26(31)28(25(23)30)22-9-4-3-5-10-22/h6,8,11,13-14,17-19,22-23H,3-5,7,9-10,12,15-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 422.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 145129404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).