1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea

C15H22N2O2 — CID 110706706

IUPAC1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NC2CCCO2)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-6-8-12(9-7-11)16-14(18)17-13-5-4-10-19-13/h6-9,13H,4-5,10H2,1-3H3,(H2,16,17,18)
InChIKeyUCGNJFLGVUBGPY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.24
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea

1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea (PubChem CID 110706706) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea
PubChem CID110706706
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NC2CCCO2)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-6-8-12(9-7-11)16-14(18)17-13-5-4-10-19-13/h6-9,13H,4-5,10H2,1-3H3,(H2,16,17,18)
InChIKeyUCGNJFLGVUBGPY-UHFFFAOYSA-N
XLogP3.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
CID 110706796
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea
CID 110706756
1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea
CID 110706691
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
1-(oxolan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 110706700
(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide
CID 124839009
(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea (CID 110706706) is 1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea is CC(C)(C)c1ccc(NC(=O)NC2CCCO2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea?
The InChIKey is UCGNJFLGVUBGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)11-6-8-12(9-7-11)16-14(18)17-13-5-4-10-19-13/h6-9,13H,4-5,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea?
1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea has a molecular weight of 262.35 g/mol, XLogP of 3.24, 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)-3-(oxolan-2-yl)urea is sourced from PubChem (CID 110706706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).