1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

C20H23F3N2O2 — CID 112972906

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC(C)(C)c1ccc(OCCNC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O2/c1-19(2,3)14-8-10-15(11-9-14)27-13-12-24-18(26)25-17-7-5-4-6-16(17)20(21,22)23/h4-11H,12-13H2,1-3H3,(H2,24,25,26)
InChIKeyGIZKAGPDDNGGFB-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.20
Rot. Bonds5

About 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 112972906) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID112972906
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC(C)(C)c1ccc(OCCNC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O2/c1-19(2,3)14-8-10-15(11-9-14)27-13-12-24-18(26)25-17-7-5-4-6-16(17)20(21,22)23/h4-11H,12-13H2,1-3H3,(H2,24,25,26)
InChIKeyGIZKAGPDDNGGFB-UHFFFAOYSA-N
XLogP5.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108881922
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112974787
1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea
CID 108882793
1-[3-(4-tert-butylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108882674
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 112972906) is 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is CC(C)(C)c1ccc(OCCNC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is GIZKAGPDDNGGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-19(2,3)14-8-10-15(11-9-14)27-13-12-24-18(26)25-17-7-5-4-6-16(17)20(21,22)23/h4-11H,12-13H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 380.41 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 112972906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).