1-(4-phenylphenyl)-3-(3-phenylpropyl)urea

C22H22N2O — CID 108867243

IUPAC1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O/c25-22(23-17-7-10-18-8-3-1-4-9-18)24-21-15-13-20(14-16-21)19-11-5-2-6-12-19/h1-6,8-9,11-16H,7,10,17H2,(H2,23,24,25)
InChIKeyRPLVHIBCGXRICW-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.11
Rot. Bonds6

About 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea

1-(4-phenylphenyl)-3-(3-phenylpropyl)urea (PubChem CID 108867243) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
PubChem CID108867243
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O/c25-22(23-17-7-10-18-8-3-1-4-9-18)24-21-15-13-20(14-16-21)19-11-5-2-6-12-19/h1-6,8-9,11-16H,7,10,17H2,(H2,23,24,25)
InChIKeyRPLVHIBCGXRICW-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
1-(4-aminophenyl)-3-(4-phenylbutyl)urea
CID 108897090
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760
ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate
CID 3344423
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
1-(2-iodophenyl)-3-(3-phenylpropyl)urea
CID 47192907
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
CID 166219931

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea (CID 108867243) is 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea?
The InChIKey is RPLVHIBCGXRICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22(23-17-7-10-18-8-3-1-4-9-18)24-21-15-13-20(14-16-21)19-11-5-2-6-12-19/h1-6,8-9,11-16H,7,10,17H2,(H2,23,24,25).
What are the key properties of 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea?
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea has a molecular weight of 330.43 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108867243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).