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

C18H22N2O5 — CID 17171312

IUPAC1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCCOc2ccccc2OC)c1
InChIInChI=1S/C18H22N2O5/c1-22-13-8-9-15(23-2)14(12-13)20-18(21)19-10-11-25-17-7-5-4-6-16(17)24-3/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyNXVWZBXOKNVRJT-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.91
Rot. Bonds8

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

1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea (PubChem CID 17171312) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
PubChem CID17171312
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCCOc2ccccc2OC)c1
InChIInChI=1S/C18H22N2O5/c1-22-13-8-9-15(23-2)14(12-13)20-18(21)19-10-11-25-17-7-5-4-6-16(17)24-3/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyNXVWZBXOKNVRJT-UHFFFAOYSA-N
XLogP2.91
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 112972775
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
CID 47032218
1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974940
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea
CID 112975367

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea (CID 17171312) is 1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea is COc1ccc(OC)c(NC(=O)NCCOc2ccccc2OC)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
The InChIKey is NXVWZBXOKNVRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-22-13-8-9-15(23-2)14(12-13)20-18(21)19-10-11-25-17-7-5-4-6-16(17)24-3/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea has a molecular weight of 346.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 17171312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).