1-(4-tert-butylphenyl)-3-cyclohexylurea

C17H26N2O — CID 22978785

IUPAC1-(4-tert-butylphenyl)-3-cyclohexylurea
SMILESCC(C)(C)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)13-9-11-15(12-10-13)19-16(20)18-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyGUYAHWCUVDDCAN-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.44
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3-cyclohexylurea

1-(4-tert-butylphenyl)-3-cyclohexylurea (PubChem CID 22978785) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-cyclohexylurea
PubChem CID22978785
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-tert-butylphenyl)-3-cyclohexylurea
SMILESCC(C)(C)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)13-9-11-15(12-10-13)19-16(20)18-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyGUYAHWCUVDDCAN-UHFFFAOYSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-cyclohexylurea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-cyclohexylurea (CID 22978785) is 1-(4-tert-butylphenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-cyclohexylurea is CC(C)(C)c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-cyclohexylurea?
The InChIKey is GUYAHWCUVDDCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)13-9-11-15(12-10-13)19-16(20)18-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(4-tert-butylphenyl)-3-cyclohexylurea?
1-(4-tert-butylphenyl)-3-cyclohexylurea has a molecular weight of 274.41 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-cyclohexylurea is sourced from PubChem (CID 22978785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).