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

C20H26N2O2 — CID 112971734

IUPAC1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCCc1ccccc1OCCNC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C20H26N2O2/c1-5-17-8-6-7-9-18(17)24-11-10-21-20(23)22-19-15(3)12-14(2)13-16(19)4/h6-9,12-13H,5,10-11H2,1-4H3,(H2,21,22,23)
InChIKeyTVEMTLYRYAQCAA-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.37
Rot. Bonds6

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

1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 112971734) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID112971734
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCCc1ccccc1OCCNC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C20H26N2O2/c1-5-17-8-6-7-9-18(17)24-11-10-21-20(23)22-19-15(3)12-14(2)13-16(19)4/h6-9,12-13H,5,10-11H2,1-4H3,(H2,21,22,23)
InChIKeyTVEMTLYRYAQCAA-UHFFFAOYSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.37
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-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971745
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112977055
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
1-[2-(2-ethylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 112971654
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112971807
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea (CID 112971734) is 1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea is CCc1ccccc1OCCNC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is TVEMTLYRYAQCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-17-8-6-7-9-18(17)24-11-10-21-20(23)22-19-15(3)12-14(2)13-16(19)4/h6-9,12-13H,5,10-11H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea?
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 326.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 112971734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).