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

C17H20N2O2 — CID 727799

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-3-7-15(8-4-13)19-17(20)18-12-11-14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyKHVFZEUFXGCJIX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds5

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

1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea (PubChem CID 727799) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
PubChem CID727799
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-3-7-15(8-4-13)19-17(20)18-12-11-14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyKHVFZEUFXGCJIX-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
1-(4-methoxyphenyl)-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
CID 163876948
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 42158481
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea (CID 727799) is 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea is COc1ccc(CCNC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea?
The InChIKey is KHVFZEUFXGCJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-3-7-15(8-4-13)19-17(20)18-12-11-14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea?
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 727799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).