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

C20H26N2O4 — CID 112973495

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O4/c1-15-4-5-16(2)19(14-15)26-13-11-22-20(23)21-10-12-25-18-8-6-17(24-3)7-9-18/h4-9,14H,10-13H2,1-3H3,(H2,21,22,23)
InChIKeyJSVXZXULZKCNDZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.07
Rot. Bonds9

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

1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (PubChem CID 112973495) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
PubChem CID112973495
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O4/c1-15-4-5-16(2)19(14-15)26-13-11-22-20(23)21-10-12-25-18-8-6-17(24-3)7-9-18/h4-9,14H,10-13H2,1-3H3,(H2,21,22,23)
InChIKeyJSVXZXULZKCNDZ-UHFFFAOYSA-N
XLogP3.07
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(3-methylbutyl)urea
CID 112973500
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974425
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-(2,4-dimethylphenoxy)ethyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]urea
CID 36962696
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (CID 112973495) is 1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is COc1ccc(OCCNC(=O)NCCOc2cc(C)ccc2C)cc1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The InChIKey is JSVXZXULZKCNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-15-4-5-16(2)19(14-15)26-13-11-22-20(23)21-10-12-25-18-8-6-17(24-3)7-9-18/h4-9,14H,10-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea has a molecular weight of 358.44 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112973495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).