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

C18H22N2O4 — CID 23880823

IUPAC1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H22N2O4/c1-22-14-6-4-5-13(11-14)9-10-19-18(21)20-16-12-15(23-2)7-8-17(16)24-3/h4-8,11-12H,9-10H2,1-3H3,(H2,19,20,21)
InChIKeyXUDZKFOGEUCBTJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.08
Rot. Bonds7

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

1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea (PubChem CID 23880823) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
PubChem CID23880823
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H22N2O4/c1-22-14-6-4-5-13(11-14)9-10-19-18(21)20-16-12-15(23-2)7-8-17(16)24-3/h4-8,11-12H,9-10H2,1-3H3,(H2,19,20,21)
InChIKeyXUDZKFOGEUCBTJ-UHFFFAOYSA-N
XLogP3.08
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886567
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-(5-chloro-2-hydroxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900950
1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901077
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
CID 47248692
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
CID 2976645
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 112972775

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea (CID 23880823) is 1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea is COc1cccc(CCNC(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is XUDZKFOGEUCBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-14-6-4-5-13(11-14)9-10-19-18(21)20-16-12-15(23-2)7-8-17(16)24-3/h4-8,11-12H,9-10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 330.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 23880823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).