1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

C20H26N2O2 — CID 112972269

IUPAC1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCc1ccc(C)c(NC(=O)NCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)17-7-5-6-8-19(17)24-12-11-21-20(23)22-18-13-15(3)9-10-16(18)4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,23)
InChIKeyUUHVUUYMOOIFEJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.63
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 112972269) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID112972269
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCc1ccc(C)c(NC(=O)NCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)17-7-5-6-8-19(17)24-12-11-21-20(23)22-18-13-15(3)9-10-16(18)4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,23)
InChIKeyUUHVUUYMOOIFEJ-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
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-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165284
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 112973546
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972335
1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883846
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-propan-2-ylphenoxy)acetate
CID 19180243
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
1-(3-cyanophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972330

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (CID 112972269) is 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is Cc1ccc(C)c(NC(=O)NCCOc2ccccc2C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is UUHVUUYMOOIFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)17-7-5-6-8-19(17)24-12-11-21-20(23)22-18-13-15(3)9-10-16(18)4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 112972269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).