1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea

C18H22N2O4 — CID 108869400

IUPAC1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-12(13-5-7-15(22-2)8-6-13)19-18(21)20-14-9-16(23-3)11-17(10-14)24-4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyUFGRYJSDOGIUNF-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.60
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea

1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea (PubChem CID 108869400) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
PubChem CID108869400
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-12(13-5-7-15(22-2)8-6-13)19-18(21)20-14-9-16(23-3)11-17(10-14)24-4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyUFGRYJSDOGIUNF-UHFFFAOYSA-N
XLogP3.60
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
CID 5151052
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
1-[1-(4-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886327
1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 60736302
1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108885829
1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 87008929
1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea
CID 108889141
1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
CID 29039114
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea (CID 108869400) is 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea is COc1ccc(C(C)NC(=O)Nc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is UFGRYJSDOGIUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(13-5-7-15(22-2)8-6-13)19-18(21)20-14-9-16(23-3)11-17(10-14)24-4/h5-12H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea?
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 330.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108869400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).