1-benzyl-3-(2-methyl-2-phenylpropyl)urea

C18H22N2O — CID 38887064

IUPAC1-benzyl-3-(2-methyl-2-phenylpropyl)urea
SMILESCC(C)(CNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,16-11-7-4-8-12-16)14-20-17(21)19-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyGDMHVQDPXQOBAL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.46
Rot. Bonds5

About 1-benzyl-3-(2-methyl-2-phenylpropyl)urea

1-benzyl-3-(2-methyl-2-phenylpropyl)urea (PubChem CID 38887064) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-benzyl-3-(2-methyl-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methyl-2-phenylpropyl)urea
PubChem CID38887064
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-benzyl-3-(2-methyl-2-phenylpropyl)urea
SMILESCC(C)(CNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,16-11-7-4-8-12-16)14-20-17(21)19-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyGDMHVQDPXQOBAL-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334531
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea
CID 106251034
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
CID 113213370
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methyl-2-phenylpropyl)urea?
The IUPAC name of 1-benzyl-3-(2-methyl-2-phenylpropyl)urea (CID 38887064) is 1-benzyl-3-(2-methyl-2-phenylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-methyl-2-phenylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(2-methyl-2-phenylpropyl)urea is CC(C)(CNC(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-methyl-2-phenylpropyl)urea?
The InChIKey is GDMHVQDPXQOBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,16-11-7-4-8-12-16)14-20-17(21)19-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-benzyl-3-(2-methyl-2-phenylpropyl)urea?
1-benzyl-3-(2-methyl-2-phenylpropyl)urea has a molecular weight of 282.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methyl-2-phenylpropyl)urea is sourced from PubChem (CID 38887064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).