1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea

C18H22N2O4 — CID 51328279

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(OCCN(C)C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-20(11-12-24-16-9-7-15(22-2)8-10-16)18(21)19-14-5-4-6-17(13-14)23-3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyBQGHNBNUOSBFRQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.25
Rot. Bonds7

About 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea

1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea (PubChem CID 51328279) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
PubChem CID51328279
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(OCCN(C)C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-20(11-12-24-16-9-7-15(22-2)8-10-16)18(21)19-14-5-4-6-17(13-14)23-3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyBQGHNBNUOSBFRQ-UHFFFAOYSA-N
XLogP3.25
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 24528891
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 138998359
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea
CID 72854209
3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 9225229
1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
CID 38147908
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9288795
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
CID 54992248
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
CID 18101732

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea (CID 51328279) is 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea is COc1ccc(OCCN(C)C(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea?
The InChIKey is BQGHNBNUOSBFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-20(11-12-24-16-9-7-15(22-2)8-10-16)18(21)19-14-5-4-6-17(13-14)23-3/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea?
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea has a molecular weight of 330.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 51328279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).