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

C19H24N2O2 — CID 112974155

IUPAC1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCOc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C19H24N2O2/c1-13-5-7-17(11-15(13)3)21-19(22)20-9-10-23-18-8-6-14(2)16(4)12-18/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyLXRQUICRRYBORM-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.12
Rot. Bonds5

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

1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 112974155) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
PubChem CID112974155
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCOc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C19H24N2O2/c1-13-5-7-17(11-15(13)3)21-19(22)20-9-10-23-18-8-6-14(2)16(4)12-18/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyLXRQUICRRYBORM-UHFFFAOYSA-N
XLogP4.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112970797
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112975161
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
1-(4-bromo-3-methylphenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112974037
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112976719
methyl 2-[2-(3,4-dimethylphenoxy)ethylcarbamoylamino]benzoate
CID 112974199
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(4-bromo-3-methylphenyl)urea
CID 112975219
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
1-(4-bromophenyl)-3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]urea
CID 112977212

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea (CID 112974155) is 1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCCOc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is LXRQUICRRYBORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-5-7-17(11-15(13)3)21-19(22)20-9-10-23-18-8-6-14(2)16(4)12-18/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea?
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 112974155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).