1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea

C23H24N2O3 — CID 108867070

IUPAC1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C23H24N2O3/c1-3-27-21-15-14-20(16-22(21)28-4-2)25-23(26)24-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H2,24,25,26)
InChIKeyUIZZLFTUZDFANI-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.80
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea

1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea (PubChem CID 108867070) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
PubChem CID108867070
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C23H24N2O3/c1-3-27-21-15-14-20(16-22(21)28-4-2)25-23(26)24-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H2,24,25,26)
InChIKeyUIZZLFTUZDFANI-UHFFFAOYSA-N
XLogP5.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea
CID 166327902
1-[4-benzhydryloxy-3-(2-methylpropyl)phenyl]-3-(3,4-diethoxyphenyl)urea
CID 23019231
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea (CID 108867070) is 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea is CCOc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea?
The InChIKey is UIZZLFTUZDFANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-27-21-15-14-20(16-22(21)28-4-2)25-23(26)24-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea?
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea has a molecular weight of 376.46 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea is sourced from PubChem (CID 108867070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).