1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea

C24H26N2O — CID 3343783

IUPAC1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-18(2)19-13-15-22(16-14-19)26-24(27)25-17-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,23H,17H2,1-2H3,(H2,25,26,27)
InChIKeyWMZFWFPSVKFCGC-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.76
Rot. Bonds6

About 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea

1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 3343783) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID3343783
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-18(2)19-13-15-22(16-14-19)26-24(27)25-17-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,23H,17H2,1-2H3,(H2,25,26,27)
InChIKeyWMZFWFPSVKFCGC-UHFFFAOYSA-N
XLogP5.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62669376
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
1-(2-chloropropyl)-3-phenylurea
CID 70181020
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
CID 155612864
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
CID 19650217
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 3807651
(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
CID 2005904
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea (CID 3343783) is 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)NCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is WMZFWFPSVKFCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-18(2)19-13-15-22(16-14-19)26-24(27)25-17-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,23H,17H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea?
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 358.49 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 3343783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).