1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

C14H20N2O2 — CID 108914921

IUPAC1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C14H20N2O2/c1-10(14(2,3)4)9-15-13(18)16-11-6-5-7-12(17)8-11/h5-9,17H,1-4H3,(H2,15,16,18)/b10-9+
InChIKeyRNLOLPCUSGTVKX-MDZDMXLPSA-N
MW248.33 g/mol
LogP3.46
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108914921) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108914921
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C14H20N2O2/c1-10(14(2,3)4)9-15-13(18)16-11-6-5-7-12(17)8-11/h5-9,17H,1-4H3,(H2,15,16,18)/b10-9+
InChIKeyRNLOLPCUSGTVKX-MDZDMXLPSA-N
XLogP3.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914916
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide
CID 108909956
1-pyrimidin-2-yl-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915067
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea
CID 108895771
1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea
CID 108894947
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide
CID 70969144
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108914921) is 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is C/C(=C\NC(=O)Nc1cccc(O)c1)C(C)(C)C.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is RNLOLPCUSGTVKX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(14(2,3)4)9-15-13(18)16-11-6-5-7-12(17)8-11/h5-9,17H,1-4H3,(H2,15,16,18)/b10-9+.
What are the key properties of 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 248.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108914921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).