[1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea

C13H19N3O — CID 165344708

IUPAC[1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea
SMILESCC(Cc1ccc(C(C)C)cc1)=NNC(N)=O
InChIInChI=1S/C13H19N3O/c1-9(2)12-6-4-11(5-7-12)8-10(3)15-16-13(14)17/h4-7,9H,8H2,1-3H3,(H3,14,16,17)
InChIKeyWDXDUBNXSQYZOH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds4

About [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea

[1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea (PubChem CID 165344708) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea.

Molecular Properties

Compound Name[1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea
PubChem CID165344708
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea
SMILESCC(Cc1ccc(C(C)C)cc1)=NNC(N)=O
InChIInChI=1S/C13H19N3O/c1-9(2)12-6-4-11(5-7-12)8-10(3)15-16-13(14)17/h4-7,9H,8H2,1-3H3,(H3,14,16,17)
InChIKeyWDXDUBNXSQYZOH-UHFFFAOYSA-N
XLogP2.40
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea?
The IUPAC name of [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea (CID 165344708) is [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea.
What is the SMILES notation for [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea?
The canonical SMILES for [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea is CC(Cc1ccc(C(C)C)cc1)=NNC(N)=O.
What is the InChIKey of [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea?
The InChIKey is WDXDUBNXSQYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)12-6-4-11(5-7-12)8-10(3)15-16-13(14)17/h4-7,9H,8H2,1-3H3,(H3,14,16,17).
What are the key properties of [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea?
[1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea has a molecular weight of 233.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea is sourced from PubChem (CID 165344708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).