1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea

C16H23F3N2O3 — CID 111474249

IUPAC1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NCC(C)(C)CCO
InChIInChI=1S/C16H23F3N2O3/c1-4-24-13-6-5-11(16(17,18)19)9-12(13)21-14(23)20-10-15(2,3)7-8-22/h5-6,9,22H,4,7-8,10H2,1-3H3,(H2,20,21,23)
InChIKeyMCVFFBMKXWFVDX-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.63
Rot. Bonds7

About 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea

1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea (PubChem CID 111474249) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
PubChem CID111474249
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NCC(C)(C)CCO
InChIInChI=1S/C16H23F3N2O3/c1-4-24-13-6-5-11(16(17,18)19)9-12(13)21-14(23)20-10-15(2,3)7-8-22/h5-6,9,22H,4,7-8,10H2,1-3H3,(H2,20,21,23)
InChIKeyMCVFFBMKXWFVDX-UHFFFAOYSA-N
XLogP3.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111566330
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47749828
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49280392
1-(4-hydroxy-2,2-dimethylbutyl)-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111474236
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506012
1-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
CID 118766107
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea (CID 111474249) is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea.
What is the SMILES notation for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The canonical SMILES for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea is CCOc1ccc(C(F)(F)F)cc1NC(=O)NCC(C)(C)CCO.
What is the InChIKey of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The InChIKey is MCVFFBMKXWFVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3/c1-4-24-13-6-5-11(16(17,18)19)9-12(13)21-14(23)20-10-15(2,3)7-8-22/h5-6,9,22H,4,7-8,10H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea has a molecular weight of 348.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea is sourced from PubChem (CID 111474249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).