1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea

C19H24N2O4 — CID 112975521

IUPAC1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCCOc2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H24N2O4/c1-4-14-8-10-15(11-9-14)21-19(22)20-12-13-25-17-7-5-6-16(23-2)18(17)24-3/h5-11H,4,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyOHWSNRXTLZYXLA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.47
Rot. Bonds8

About 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea

1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea (PubChem CID 112975521) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
PubChem CID112975521
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCCOc2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H24N2O4/c1-4-14-8-10-15(11-9-14)21-19(22)20-12-13-25-17-7-5-6-16(23-2)18(17)24-3/h5-11H,4,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyOHWSNRXTLZYXLA-UHFFFAOYSA-N
XLogP3.47
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975574
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112975591
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971489
1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112973925
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide
CID 100531701
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
CID 113101961

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea (CID 112975521) is 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NCCOc2cccc(OC)c2OC)cc1.
What is the InChIKey of 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea?
The InChIKey is OHWSNRXTLZYXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-14-8-10-15(11-9-14)21-19(22)20-12-13-25-17-7-5-6-16(23-2)18(17)24-3/h5-11H,4,12-13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea?
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea has a molecular weight of 344.41 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea is sourced from PubChem (CID 112975521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).