1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea

C20H26N2O3 — CID 112973546

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
SMILESCc1ccc(C)c(OCCNC(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C20H26N2O3/c1-14(2)25-18-8-6-5-7-17(18)22-20(23)21-11-12-24-19-13-15(3)9-10-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,23)
InChIKeyXJRWGQNRXLHZNW-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.29
Rot. Bonds7

About 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea

1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 112973546) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
PubChem CID112973546
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
SMILESCc1ccc(C)c(OCCNC(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C20H26N2O3/c1-14(2)25-18-8-6-5-7-17(18)22-20(23)21-11-12-24-19-13-15(3)9-10-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,23)
InChIKeyXJRWGQNRXLHZNW-UHFFFAOYSA-N
XLogP4.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.29
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-propan-2-yloxyphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974497
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972269
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(3-methylbutyl)urea
CID 112973500
1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883846
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992103

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea (CID 112973546) is 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea is Cc1ccc(C)c(OCCNC(=O)Nc2ccccc2OC(C)C)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is XJRWGQNRXLHZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)25-18-8-6-5-7-17(18)22-20(23)21-11-12-24-19-13-15(3)9-10-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea?
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 342.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 112973546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).