3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

C15H23FN2O3 — CID 111790631

IUPAC3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C15H23FN2O3/c1-5-18(10-15(3,4)20)14(19)17-12-8-7-11(16)9-13(12)21-6-2/h7-9,20H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyXMGCHKDITTUREX-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.85
Rot. Bonds6

About 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (PubChem CID 111790631) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
PubChem CID111790631
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C15H23FN2O3/c1-5-18(10-15(3,4)20)14(19)17-12-8-7-11(16)9-13(12)21-6-2/h7-9,20H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyXMGCHKDITTUREX-UHFFFAOYSA-N
XLogP2.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111926113
3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754678
N-(2-ethoxy-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604524
5-(2-ethoxy-4-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062060
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111926080
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
1-(2-ethoxy-4-fluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754658
3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87009878
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822555

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (CID 111790631) is 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is CCOc1cc(F)ccc1NC(=O)N(CC)CC(C)(C)O.
What is the InChIKey of 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is XMGCHKDITTUREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-5-18(10-15(3,4)20)14(19)17-12-8-7-11(16)9-13(12)21-6-2/h7-9,20H,5-6,10H2,1-4H3,(H,17,19).
What are the key properties of 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 298.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 111790631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).