1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea

C20H26N2O2 — CID 112972102

IUPAC1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
SMILESCCc1ccc(OCCNC(=O)Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-9-11-18(12-10-16)24-14-13-21-20(23)22-19-15(3)7-6-8-17(19)5-2/h6-12H,4-5,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyUYRZHNFSTZXBBO-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.32
Rot. Bonds7

About 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea

1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea (PubChem CID 112972102) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
PubChem CID112972102
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
SMILESCCc1ccc(OCCNC(=O)Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-9-11-18(12-10-16)24-14-13-21-20(23)22-19-15(3)7-6-8-17(19)5-2/h6-12H,4-5,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyUYRZHNFSTZXBBO-UHFFFAOYSA-N
XLogP4.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.32
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-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975693
N-(2,6-dimethylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795911
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972433
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea (CID 112972102) is 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea is CCc1ccc(OCCNC(=O)Nc2c(C)cccc2CC)cc1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
The InChIKey is UYRZHNFSTZXBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-16-9-11-18(12-10-16)24-14-13-21-20(23)22-19-15(3)7-6-8-17(19)5-2/h6-12H,4-5,13-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea is sourced from PubChem (CID 112972102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).