[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea

C16H24N6O2 — CID 6894149

IUPAC[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea
SMILESCCc1cc(CC)c(/C=N/NC(N)=O)c(CC)c1/C=N/NC(N)=O
InChIInChI=1S/C16H24N6O2/c1-4-10-7-11(5-2)14(9-20-22-16(18)24)12(6-3)13(10)8-19-21-15(17)23/h7-9H,4-6H2,1-3H3,(H3,17,21,23)(H3,18,22,24)/b19-8+,20-9+
InChIKeyZWPYBHVQAFHSHG-PQEHHWQQSA-N
MW332.41 g/mol
LogP1.38
Rot. Bonds7

About [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea

[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea (PubChem CID 6894149) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea
PubChem CID6894149
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea
SMILESCCc1cc(CC)c(/C=N/NC(N)=O)c(CC)c1/C=N/NC(N)=O
InChIInChI=1S/C16H24N6O2/c1-4-10-7-11(5-2)14(9-20-22-16(18)24)12(6-3)13(10)8-19-21-15(17)23/h7-9H,4-6H2,1-3H3,(H3,17,21,23)(H3,18,22,24)/b19-8+,20-9+
InChIKeyZWPYBHVQAFHSHG-PQEHHWQQSA-N
XLogP1.38
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea 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 [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea?
The IUPAC name of [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea (CID 6894149) is [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea is CCc1cc(CC)c(/C=N/NC(N)=O)c(CC)c1/C=N/NC(N)=O.
What is the InChIKey of [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea?
The InChIKey is ZWPYBHVQAFHSHG-PQEHHWQQSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-10-7-11(5-2)14(9-20-22-16(18)24)12(6-3)13(10)8-19-21-15(17)23/h7-9H,4-6H2,1-3H3,(H3,17,21,23)(H3,18,22,24)/b19-8+,20-9+.
What are the key properties of [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea?
[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea has a molecular weight of 332.41 g/mol, XLogP of 1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-triethylphenyl]methylideneamino]urea is sourced from PubChem (CID 6894149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).