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

C19H24N2O6 — CID 108866734

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1ccc(OCCNC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O6/c1-23-14-5-7-15(8-6-14)27-10-9-20-19(22)21-13-11-16(24-2)18(26-4)17(12-13)25-3/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeySPHPBBWPLRTJED-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.92
Rot. Bonds9

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

1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 108866734) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID108866734
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1ccc(OCCNC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O6/c1-23-14-5-7-15(8-6-14)27-10-9-20-19(22)21-13-11-16(24-2)18(26-4)17(12-13)25-3/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeySPHPBBWPLRTJED-UHFFFAOYSA-N
XLogP2.92
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 38155146
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976270
1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112973925
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976610
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 108990581

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 108866734) is 1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1ccc(OCCNC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is SPHPBBWPLRTJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-23-14-5-7-15(8-6-14)27-10-9-20-19(22)21-13-11-16(24-2)18(26-4)17(12-13)25-3/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 376.41 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 108866734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).