1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea

C13H17F3N2O3 — CID 90501203

IUPAC1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOCC(C)(O)CNC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-12(20,8-21-2)7-17-11(19)18-10-5-3-4-9(6-10)13(14,15)16/h3-6,20H,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyUJVDBRMFVIDBQB-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 90501203) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID90501203
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOCC(C)(O)CNC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-12(20,8-21-2)7-17-11(19)18-10-5-3-4-9(6-10)13(14,15)16/h3-6,20H,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyUJVDBRMFVIDBQB-UHFFFAOYSA-N
XLogP2.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56724287
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 164665723
1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 62734848
1-[(2-methoxy-2-adamantyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90624383
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501064
1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 106184189
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 90501203) is 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea is COCC(C)(O)CNC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is UJVDBRMFVIDBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-12(20,8-21-2)7-17-11(19)18-10-5-3-4-9(6-10)13(14,15)16/h3-6,20H,7-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 306.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90501203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).