1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea

C20H23F3N2O2 — CID 60543843

IUPAC1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCCCOCCc1ccccc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)18-9-4-8-17(14-18)15-25-19(26)24-11-5-12-27-13-10-16-6-2-1-3-7-16/h1-4,6-9,14H,5,10-13,15H2,(H2,24,25,26)
InChIKeyMFMYUVSILZSVST-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.15
Rot. Bonds9

About 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea

1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 60543843) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID60543843
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCCCOCCc1ccccc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)18-9-4-8-17(14-18)15-25-19(26)24-11-5-12-27-13-10-16-6-2-1-3-7-16/h1-4,6-9,14H,5,10-13,15H2,(H2,24,25,26)
InChIKeyMFMYUVSILZSVST-UHFFFAOYSA-N
XLogP4.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60580823
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea
CID 55934144
1-[3-(2-phenylethoxy)propyl]-3-(thiophen-2-ylmethyl)urea
CID 60530184
3-[2-[3-(trifluoromethyl)phenyl]ethoxy]propanoic acid
CID 59296246
1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea
CID 52666869
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 62671146
3-[[3-(2-phenylethoxy)propylamino]methyl]benzoic acid
CID 122030496
1-(3-ethoxypropyl)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111224999
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391
N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 60547814
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]urea
CID 108898647
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 60543843) is 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea is O=C(NCCCOCCc1ccccc1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is MFMYUVSILZSVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)18-9-4-8-17(14-18)15-25-19(26)24-11-5-12-27-13-10-16-6-2-1-3-7-16/h1-4,6-9,14H,5,10-13,15H2,(H2,24,25,26).
What are the key properties of 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 380.41 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 60543843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).