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

C14H21N3O — CID 6894151

IUPAC[(E)-(2,4,6-triethylphenyl)methylideneamino]urea
SMILESCCc1cc(CC)c(/C=N/NC(N)=O)c(CC)c1
InChIInChI=1S/C14H21N3O/c1-4-10-7-11(5-2)13(12(6-3)8-10)9-16-17-14(15)18/h7-9H,4-6H2,1-3H3,(H3,15,17,18)/b16-9+
InChIKeyNUUUQCSIANVGGH-CXUHLZMHSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds5

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

[(E)-(2,4,6-triethylphenyl)methylideneamino]urea (PubChem CID 6894151) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [(E)-(2,4,6-triethylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2,4,6-triethylphenyl)methylideneamino]urea
PubChem CID6894151
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[(E)-(2,4,6-triethylphenyl)methylideneamino]urea
SMILESCCc1cc(CC)c(/C=N/NC(N)=O)c(CC)c1
InChIInChI=1S/C14H21N3O/c1-4-10-7-11(5-2)13(12(6-3)8-10)9-16-17-14(15)18/h7-9H,4-6H2,1-3H3,(H3,15,17,18)/b16-9+
InChIKeyNUUUQCSIANVGGH-CXUHLZMHSA-N
XLogP2.38
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde semicarbazone
CID 6861419
2,4,6-Triethylisophthalaldehyde disemicarbazone
CID 6894149
2,4,6-Trimethylisophthalaldehyde disemicarbazone
CID 6894304
[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 6903365
4-Methylbenzaldehyde semicarbazone
CID 5705538
Methyl 2-(mesitylmethylene)hydrazinecarboxylate
CID 6907691
(2E)-2-(3-phenylpropylidene)hydrazinecarboxamide
CID 9638518
({[3-(Trifluoromethyl)phenyl]methylidene}amino)urea
CID 2381518
[(Z)-benzylideneamino]urea
CID 5369387
2-(Phenylmethylene)-1-hydrazinecarboxamide
CID 74084
[(E)-naphthalen-1-ylmethylideneamino]urea
CID 6898769
N'-[(1E)-Mesitylmethylene]Carbonohydrazonic Diamide
CID 9691426

Frequently Asked Questions

What is the IUPAC name of [(E)-(2,4,6-triethylphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(2,4,6-triethylphenyl)methylideneamino]urea (CID 6894151) is [(E)-(2,4,6-triethylphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2,4,6-triethylphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(2,4,6-triethylphenyl)methylideneamino]urea is CCc1cc(CC)c(/C=N/NC(N)=O)c(CC)c1.
What is the InChIKey of [(E)-(2,4,6-triethylphenyl)methylideneamino]urea?
The InChIKey is NUUUQCSIANVGGH-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-10-7-11(5-2)13(12(6-3)8-10)9-16-17-14(15)18/h7-9H,4-6H2,1-3H3,(H3,15,17,18)/b16-9+.
What are the key properties of [(E)-(2,4,6-triethylphenyl)methylideneamino]urea?
[(E)-(2,4,6-triethylphenyl)methylideneamino]urea has a molecular weight of 247.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2,4,6-triethylphenyl)methylideneamino]urea is sourced from PubChem (CID 6894151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).