3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide

C20H26N2O4 — CID 67764312

IUPAC3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide
SMILESC=C(C)C(=O)CCNC(=O)C1=C(C(=O)NCCC(=O)C(=C)C)C(C)=C1C
InChIInChI=1S/C20H26N2O4/c1-11(2)15(23)7-9-21-19(25)17-13(5)14(6)18(17)20(26)22-10-8-16(24)12(3)4/h1,3,7-10H2,2,4-6H3,(H,21,25)(H,22,26)
InChIKeySSXZUKUQASMRSM-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.94
Rot. Bonds10

About 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide

3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide (PubChem CID 67764312) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide.

Molecular Properties

Compound Name3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide
PubChem CID67764312
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide
SMILESC=C(C)C(=O)CCNC(=O)C1=C(C(=O)NCCC(=O)C(=C)C)C(C)=C1C
InChIInChI=1S/C20H26N2O4/c1-11(2)15(23)7-9-21-19(25)17-13(5)14(6)18(17)20(26)22-10-8-16(24)12(3)4/h1,3,7-10H2,2,4-6H3,(H,21,25)(H,22,26)
InChIKeySSXZUKUQASMRSM-UHFFFAOYSA-N
XLogP1.94
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide 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 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide?
The IUPAC name of 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide (CID 67764312) is 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide.
What is the SMILES notation for 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide?
The canonical SMILES for 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide is C=C(C)C(=O)CCNC(=O)C1=C(C(=O)NCCC(=O)C(=C)C)C(C)=C1C.
What is the InChIKey of 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide?
The InChIKey is SSXZUKUQASMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-11(2)15(23)7-9-21-19(25)17-13(5)14(6)18(17)20(26)22-10-8-16(24)12(3)4/h1,3,7-10H2,2,4-6H3,(H,21,25)(H,22,26).
What are the key properties of 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide?
3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide is sourced from PubChem (CID 67764312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).