3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea

C18H22N2O2 — CID 112971905

IUPAC3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
SMILESCCc1cccc(OCCNC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-3-15-8-7-11-17(14-15)22-13-12-19-18(21)20(2)16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyZUQPSQQIUVEDKB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.47
Rot. Bonds6

About 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea

3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea (PubChem CID 112971905) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
PubChem CID112971905
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
SMILESCCc1cccc(OCCNC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-3-15-8-7-11-17(14-15)22-13-12-19-18(21)20(2)16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyZUQPSQQIUVEDKB-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
CID 121498185
1-benzyl-3-[2-(3-bromophenoxy)ethyl]-1-methylurea
CID 112971158
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974328
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
CID 112971923
1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112971837
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971994
3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122007167
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea?
The IUPAC name of 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea (CID 112971905) is 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea.
What is the SMILES notation for 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea?
The canonical SMILES for 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea is CCc1cccc(OCCNC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea?
The InChIKey is ZUQPSQQIUVEDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-15-8-7-11-17(14-15)22-13-12-19-18(21)20(2)16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3,(H,19,21).
What are the key properties of 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea?
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea has a molecular weight of 298.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea is sourced from PubChem (CID 112971905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).