3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea

C19H24N2O2 — CID 112974161

IUPAC3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCCOc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-4-21(17-8-6-5-7-9-17)19(22)20-12-13-23-18-11-10-15(2)16(3)14-18/h5-11,14H,4,12-13H2,1-3H3,(H,20,22)
InChIKeySLWUARLKZYIQPZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.92
Rot. Bonds6

About 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea

3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea (PubChem CID 112974161) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea
PubChem CID112974161
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCCOc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-4-21(17-8-6-5-7-9-17)19(22)20-12-13-23-18-11-10-15(2)16(3)14-18/h5-11,14H,4,12-13H2,1-3H3,(H,20,22)
InChIKeySLWUARLKZYIQPZ-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.92
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-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974629
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882781
3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
CID 112974053
3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112971088
1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972497
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
CID 113101021
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
CID 112970324
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea?
The IUPAC name of 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea (CID 112974161) is 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea?
The canonical SMILES for 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea is CCN(C(=O)NCCOc1ccc(C)c(C)c1)c1ccccc1.
What is the InChIKey of 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea?
The InChIKey is SLWUARLKZYIQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-21(17-8-6-5-7-9-17)19(22)20-12-13-23-18-11-10-15(2)16(3)14-18/h5-11,14H,4,12-13H2,1-3H3,(H,20,22).
What are the key properties of 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea?
3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea has a molecular weight of 312.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea is sourced from PubChem (CID 112974161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).