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

C18H21ClN2O3 — CID 24528891

IUPAC3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
SMILESCOc1ccc(OCCN(C)C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3/c1-13-4-5-14(12-17(13)19)20-18(22)21(2)10-11-24-16-8-6-15(23-3)7-9-16/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyZVSKIRHXVGIYSD-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.20
Rot. Bonds6

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

3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea (PubChem CID 24528891) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
PubChem CID24528891
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
SMILESCOc1ccc(OCCN(C)C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3/c1-13-4-5-14(12-17(13)19)20-18(22)21(2)10-11-24-16-8-6-15(23-3)7-9-16/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyZVSKIRHXVGIYSD-UHFFFAOYSA-N
XLogP4.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 138998359
3-(3-chloro-4-methylphenyl)-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122927
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
4-butoxy-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide
CID 2292033
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-(3-methyl-4-nitrophenyl)urea
CID 112839901
3-(3-chloro-4-methylphenyl)-1-methyl-1-(2-piperazin-1-ylethyl)urea
CID 63265423
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
CID 60577621
3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044681
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953049

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea (CID 24528891) is 3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea is COc1ccc(OCCN(C)C(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea?
The InChIKey is ZVSKIRHXVGIYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-13-4-5-14(12-17(13)19)20-18(22)21(2)10-11-24-16-8-6-15(23-3)7-9-16/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea?
3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea has a molecular weight of 348.83 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea is sourced from PubChem (CID 24528891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).