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

C18H22N2O — CID 110355137

IUPAC1-benzyl-3-(2-methyl-3-phenylpropyl)urea
SMILESCC(CNC(=O)NCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(12-16-8-4-2-5-9-16)13-19-18(21)20-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H2,19,20,21)
InChIKeyRHOXJTTWKQCSNZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.36
Rot. Bonds6

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

1-benzyl-3-(2-methyl-3-phenylpropyl)urea (PubChem CID 110355137) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-benzyl-3-(2-methyl-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methyl-3-phenylpropyl)urea
PubChem CID110355137
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-benzyl-3-(2-methyl-3-phenylpropyl)urea
SMILESCC(CNC(=O)NCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(12-16-8-4-2-5-9-16)13-19-18(21)20-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H2,19,20,21)
InChIKeyRHOXJTTWKQCSNZ-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-(2-methyl-3-phenylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea
CID 110356549
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
CID 110608624
1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
CID 110403915
1-benzyl-3-butan-2-ylurea
CID 10512480
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
1-benzyl-3-methylurea;ethane
CID 90763782
N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide
CID 23826181

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methyl-3-phenylpropyl)urea?
The IUPAC name of 1-benzyl-3-(2-methyl-3-phenylpropyl)urea (CID 110355137) is 1-benzyl-3-(2-methyl-3-phenylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-methyl-3-phenylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(2-methyl-3-phenylpropyl)urea is CC(CNC(=O)NCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-methyl-3-phenylpropyl)urea?
The InChIKey is RHOXJTTWKQCSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15(12-16-8-4-2-5-9-16)13-19-18(21)20-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-benzyl-3-(2-methyl-3-phenylpropyl)urea?
1-benzyl-3-(2-methyl-3-phenylpropyl)urea has a molecular weight of 282.39 g/mol, XLogP of 3.36, 6 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-3-phenylpropyl)urea is sourced from PubChem (CID 110355137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).