3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea

C17H20N2O2 — CID 107653693

IUPAC3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea
SMILESCCN(C(=O)NCc1ccccc1)c1cc(O)ccc1C
InChIInChI=1S/C17H20N2O2/c1-3-19(16-11-15(20)10-9-13(16)2)17(21)18-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3,(H,18,21)
InChIKeyBUWYIYXAQBCXTR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.44
Rot. Bonds4

About 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea

3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea (PubChem CID 107653693) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea.

Molecular Properties

Compound Name3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea
PubChem CID107653693
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea
SMILESCCN(C(=O)NCc1ccccc1)c1cc(O)ccc1C
InChIInChI=1S/C17H20N2O2/c1-3-19(16-11-15(20)10-9-13(16)2)17(21)18-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3,(H,18,21)
InChIKeyBUWYIYXAQBCXTR-UHFFFAOYSA-N
XLogP3.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107737112
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 28740208
4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 107737106
2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28739954
(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829638
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pent-4-ynoic acid
CID 107737068
N-(cyanomethyl)-N'-ethyl-N'-(5-hydroxy-2-methylphenyl)oxamide
CID 107735052
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107734471
N-ethyl-N-(5-hydroxy-2-methylphenyl)pyrimidine-5-carboxamide
CID 102922038
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea?
The IUPAC name of 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea (CID 107653693) is 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea.
What is the SMILES notation for 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea?
The canonical SMILES for 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea is CCN(C(=O)NCc1ccccc1)c1cc(O)ccc1C.
What is the InChIKey of 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea?
The InChIKey is BUWYIYXAQBCXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(16-11-15(20)10-9-13(16)2)17(21)18-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3,(H,18,21).
What are the key properties of 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea?
3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea is sourced from PubChem (CID 107653693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).