1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea

C19H21N3O2 — CID 75444536

IUPAC1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CN(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O2/c1-19(2,24)14-22(13-15-7-4-3-5-8-15)18(23)21-17-10-6-9-16(11-17)12-20/h3-11,24H,13-14H2,1-2H3,(H,21,23)
InChIKeyZUBPXVVNMUGLOM-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.36
Rot. Bonds5

About 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea

1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea (PubChem CID 75444536) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea
PubChem CID75444536
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CN(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O2/c1-19(2,24)14-22(13-15-7-4-3-5-8-15)18(23)21-17-10-6-9-16(11-17)12-20/h3-11,24H,13-14H2,1-2H3,(H,21,23)
InChIKeyZUBPXVVNMUGLOM-UHFFFAOYSA-N
XLogP3.36
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)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

N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
CID 32899277
1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea
CID 75471964
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
1-benzyl-1-(2-hydroxyethyl)-3-[3-(2-phenylethynyl)phenyl]urea
CID 112838325
1-benzyl-3-(3-cyanophenyl)-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 4167751
N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
CID 108987656
1-benzyl-3-(3-ethynylphenyl)-1-(2-hydroxyethyl)urea
CID 110896764
N-benzyl-2-[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3659655
N-benzyl-2-[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4620328
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516
N-benzyl-2-[(3-cyanophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)acetamide
CID 4542304
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea (CID 75444536) is 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea is CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is ZUBPXVVNMUGLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,24)14-22(13-15-7-4-3-5-8-15)18(23)21-17-10-6-9-16(11-17)12-20/h3-11,24H,13-14H2,1-2H3,(H,21,23).
What are the key properties of 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea?
1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 323.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 75444536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).