[1-(4-tert-butylphenyl)ethylideneamino]urea

C13H19N3O — CID 5041387

IUPAC[1-(4-tert-butylphenyl)ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19N3O/c1-9(15-16-12(14)17)10-5-7-11(8-6-10)13(2,3)4/h5-8H,1-4H3,(H3,14,16,17)
InChIKeyPTPYBEDBDLJASY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds2

About [1-(4-tert-butylphenyl)ethylideneamino]urea

[1-(4-tert-butylphenyl)ethylideneamino]urea (PubChem CID 5041387) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)ethylideneamino]urea
PubChem CID5041387
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[1-(4-tert-butylphenyl)ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19N3O/c1-9(15-16-12(14)17)10-5-7-11(8-6-10)13(2,3)4/h5-8H,1-4H3,(H3,14,16,17)
InChIKeyPTPYBEDBDLJASY-UHFFFAOYSA-N
XLogP2.38
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
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

4-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]benzoic acid
CID 155250087
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
1,2-bis[1-(4-tert-butylphenyl)ethylideneamino]guanidine
CID 123753114
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
1,2-bis[1-(4-tert-butylphenyl)ethylideneamino]guanidine;hydrochloride
CID 140813770
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
CID 6019410
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135560522
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6341466
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)ethylideneamino]urea?
The IUPAC name of [1-(4-tert-butylphenyl)ethylideneamino]urea (CID 5041387) is [1-(4-tert-butylphenyl)ethylideneamino]urea.
What is the SMILES notation for [1-(4-tert-butylphenyl)ethylideneamino]urea?
The canonical SMILES for [1-(4-tert-butylphenyl)ethylideneamino]urea is CC(=NNC(N)=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)ethylideneamino]urea?
The InChIKey is PTPYBEDBDLJASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(15-16-12(14)17)10-5-7-11(8-6-10)13(2,3)4/h5-8H,1-4H3,(H3,14,16,17).
What are the key properties of [1-(4-tert-butylphenyl)ethylideneamino]urea?
[1-(4-tert-butylphenyl)ethylideneamino]urea has a molecular weight of 233.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)ethylideneamino]urea is sourced from PubChem (CID 5041387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).