1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea

C32H34N2O2 — CID 69028216

IUPAC1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
SMILESCC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C32H34N2O2/c1-25(2)24-34(23-22-31(26-12-6-3-7-13-26)27-14-8-4-9-15-27)32(35)33-28-18-20-30(21-19-28)36-29-16-10-5-11-17-29/h3-21,25,31H,22-24H2,1-2H3,(H,33,35)
InChIKeyQRGSBOQQFDMSTD-UHFFFAOYSA-N
MW478.64 g/mol
LogP8.19
Rot. Bonds10

About 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea

1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea (PubChem CID 69028216) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
PubChem CID69028216
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
SMILESCC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C32H34N2O2/c1-25(2)24-34(23-22-31(26-12-6-3-7-13-26)27-14-8-4-9-15-27)32(35)33-28-18-20-30(21-19-28)36-29-16-10-5-11-17-29/h3-21,25,31H,22-24H2,1-2H3,(H,33,35)
InChIKeyQRGSBOQQFDMSTD-UHFFFAOYSA-N
XLogP8.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
CID 69028236
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 25175472
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 69028477
N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide
CID 42698814
2-ethoxy-3-[4-[2-[3-methylbutyl-[(4-phenoxyphenyl)carbamoyl]amino]ethoxy]phenyl]propanoic acid
CID 22234471
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea
CID 10142589
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
CID 4541691
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea
CID 23451795
3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid
CID 120516393

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea (CID 69028216) is 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea is CC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea?
The InChIKey is QRGSBOQQFDMSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c1-25(2)24-34(23-22-31(26-12-6-3-7-13-26)27-14-8-4-9-15-27)32(35)33-28-18-20-30(21-19-28)36-29-16-10-5-11-17-29/h3-21,25,31H,22-24H2,1-2H3,(H,33,35).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea?
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea has a molecular weight of 478.64 g/mol, XLogP of 8.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 69028216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).