1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

C19H22N2O2 — CID 108903908

IUPAC1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCCc1cccc(C)c1NC(=O)N/C=C/c1ccccc1OC
InChIInChI=1S/C19H22N2O2/c1-4-15-10-7-8-14(2)18(15)21-19(22)20-13-12-16-9-5-6-11-17(16)23-3/h5-13H,4H2,1-3H3,(H2,20,21,22)/b13-12+
InChIKeyCEPDYJAQYJPJQT-OUKQBFOZSA-N
MW310.40 g/mol
LogP4.36
Rot. Bonds5

About 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (PubChem CID 108903908) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
PubChem CID108903908
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCCc1cccc(C)c1NC(=O)N/C=C/c1ccccc1OC
InChIInChI=1S/C19H22N2O2/c1-4-15-10-7-8-14(2)18(15)21-19(22)20-13-12-16-9-5-6-11-17(16)23-3/h5-13H,4H2,1-3H3,(H2,20,21,22)/b13-12+
InChIKeyCEPDYJAQYJPJQT-OUKQBFOZSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-naphthalen-1-ylurea
CID 108904029
1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904116
2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108903974
3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 963630
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903814
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904010
1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903849
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904152

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (CID 108903908) is 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is CCc1cccc(C)c1NC(=O)N/C=C/c1ccccc1OC.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The InChIKey is CEPDYJAQYJPJQT-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-15-10-7-8-14(2)18(15)21-19(22)20-13-12-16-9-5-6-11-17(16)23-3/h5-13H,4H2,1-3H3,(H2,20,21,22)/b13-12+.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea has a molecular weight of 310.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108903908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).