1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea

C21H20N2O2 — CID 108867158

IUPAC1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-2-25-20-11-7-6-10-19(20)23-21(24)22-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H2,22,23,24)
InChIKeyTZTZKNKITJPASI-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.40
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea

1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea (PubChem CID 108867158) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
PubChem CID108867158
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-2-25-20-11-7-6-10-19(20)23-21(24)22-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H2,22,23,24)
InChIKeyTZTZKNKITJPASI-UHFFFAOYSA-N
XLogP5.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
4-[4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]phenyl]-4-oxo-2-phenylbutanoic acid
CID 143314528
(2S)-2-[[4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59483367
1-(2-ethoxyphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 2209483
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302267
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
1-(2-ethoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 122297608
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea (CID 108867158) is 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea is CCOc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea?
The InChIKey is TZTZKNKITJPASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-25-20-11-7-6-10-19(20)23-21(24)22-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea?
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea has a molecular weight of 332.40 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea is sourced from PubChem (CID 108867158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).