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

C19H22N2O2 — CID 108907884

IUPAC1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-3-5-16(6-4-15)11-13-20-19(22)21-14-12-17-7-9-18(23-2)10-8-17/h3-10,12,14H,11,13H2,1-2H3,(H2,20,21,22)/b14-12+
InChIKeyCQISKFFVYUELQX-WYMLVPIESA-N
MW310.40 g/mol
LogP3.52
Rot. Bonds6

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

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108907884) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108907884
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-3-5-16(6-4-15)11-13-20-19(22)21-14-12-17-7-9-18(23-2)10-8-17/h3-10,12,14H,11,13H2,1-2H3,(H2,20,21,22)/b14-12+
InChIKeyCQISKFFVYUELQX-WYMLVPIESA-N
XLogP3.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108908257
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
CID 108909730
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108911678
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108908706
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 134060022
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea (CID 108907884) is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea is COc1ccc(/C=C/NC(=O)NCCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is CQISKFFVYUELQX-WYMLVPIESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-3-5-16(6-4-15)11-13-20-19(22)21-14-12-17-7-9-18(23-2)10-8-17/h3-10,12,14H,11,13H2,1-2H3,(H2,20,21,22)/b14-12+.
What are the key properties of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea?
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 310.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108907884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).