1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea

C21H18N2O2 — CID 108903164

IUPAC1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea
SMILESO=C(N/C=C/c1ccccc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O2/c24-21(22-16-15-17-7-3-1-4-8-17)23-18-11-13-20(14-12-18)25-19-9-5-2-6-10-19/h1-16H,(H2,22,23,24)/b16-15+
InChIKeyBQKVFDOYCISDEL-FOCLMDBBSA-N
MW330.39 g/mol
LogP5.27
Rot. Bonds5

About 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea

1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903164) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea
PubChem CID108903164
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea
SMILESO=C(N/C=C/c1ccccc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O2/c24-21(22-16-15-17-7-3-1-4-8-17)23-18-11-13-20(14-12-18)25-19-9-5-2-6-10-19/h1-16H,(H2,22,23,24)/b16-15+
InChIKeyBQKVFDOYCISDEL-FOCLMDBBSA-N
XLogP5.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903091
2-phenylethenylcarbamic acid
CID 151881054
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea (CID 108903164) is 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea is O=C(N/C=C/c1ccccc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea?
The InChIKey is BQKVFDOYCISDEL-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(22-16-15-17-7-3-1-4-8-17)23-18-11-13-20(14-12-18)25-19-9-5-2-6-10-19/h1-16H,(H2,22,23,24)/b16-15+.
What are the key properties of 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea?
1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea has a molecular weight of 330.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).