1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea

C18H22N2O3 — CID 108990551

IUPAC1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H22N2O3/c1-13-4-5-14(2)17(12-13)20-18(21)19-10-11-23-16-8-6-15(22-3)7-9-16/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyCYPKXTSCZMRWOW-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.51
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea

1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea (PubChem CID 108990551) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
PubChem CID108990551
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H22N2O3/c1-13-4-5-14(2)17(12-13)20-18(21)19-10-11-23-16-8-6-15(22-3)7-9-16/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyCYPKXTSCZMRWOW-UHFFFAOYSA-N
XLogP3.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide
CID 60602931
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607
N-[3-(4-methoxyphenoxy)propyl]-2,5-dimethylaniline
CID 82095922
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
CID 110675983
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea (CID 108990551) is 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea is COc1ccc(OCCNC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea?
The InChIKey is CYPKXTSCZMRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-4-5-14(2)17(12-13)20-18(21)19-10-11-23-16-8-6-15(22-3)7-9-16/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea?
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea has a molecular weight of 314.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 108990551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).