3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea

C20H26N2O2 — CID 112974053

IUPAC3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)NCCOc1cc(C)cc(C)c1)c1cccc(C)c1
InChIInChI=1S/C20H26N2O2/c1-5-22(18-8-6-7-15(2)12-18)20(23)21-9-10-24-19-13-16(3)11-17(4)14-19/h6-8,11-14H,5,9-10H2,1-4H3,(H,21,23)
InChIKeyHKYQRHJULOPJBY-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.23
Rot. Bonds6

About 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea

3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea (PubChem CID 112974053) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
PubChem CID112974053
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)NCCOc1cc(C)cc(C)c1)c1cccc(C)c1
InChIInChI=1S/C20H26N2O2/c1-5-22(18-8-6-7-15(2)12-18)20(23)21-9-10-24-19-13-16(3)11-17(4)14-19/h6-8,11-14H,5,9-10H2,1-4H3,(H,21,23)
InChIKeyHKYQRHJULOPJBY-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.23
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

1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972497
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
CID 112970324
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974629
3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112974161
1-ethyl-1-(3-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899788
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108889606
1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea?
The IUPAC name of 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea (CID 112974053) is 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea.
What is the SMILES notation for 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea?
The canonical SMILES for 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea is CCN(C(=O)NCCOc1cc(C)cc(C)c1)c1cccc(C)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea?
The InChIKey is HKYQRHJULOPJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-22(18-8-6-7-15(2)12-18)20(23)21-9-10-24-19-13-16(3)11-17(4)14-19/h6-8,11-14H,5,9-10H2,1-4H3,(H,21,23).
What are the key properties of 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea?
3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea has a molecular weight of 326.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea is sourced from PubChem (CID 112974053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).