1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea

C18H22N2O3 — CID 971052

IUPAC1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C18H22N2O3/c1-3-23-17-7-5-4-6-16(17)20-18(21)19-13-12-14-8-10-15(22-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyYMQSTGSBMGTAIP-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.46
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 971052) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID971052
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C18H22N2O3/c1-3-23-17-7-5-4-6-16(17)20-18(21)19-13-12-14-8-10-15(22-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyYMQSTGSBMGTAIP-UHFFFAOYSA-N
XLogP3.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N'-(2-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2273905
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 797368
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 971052) is 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is CCOc1ccccc1NC(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is YMQSTGSBMGTAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-17-7-5-4-6-16(17)20-18(21)19-13-12-14-8-10-15(22-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 971052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).