3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea

C17H17N3O — CID 108992791

IUPAC3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)Nc1ccc(C#N)cc1)c1cccc(C)c1
InChIInChI=1S/C17H17N3O/c1-3-20(16-6-4-5-13(2)11-16)17(21)19-15-9-7-14(12-18)8-10-15/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyMZFAUOONKMGABS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.93
Rot. Bonds3

About 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea

3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea (PubChem CID 108992791) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea.

Molecular Properties

Compound Name3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea
PubChem CID108992791
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)Nc1ccc(C#N)cc1)c1cccc(C)c1
InChIInChI=1S/C17H17N3O/c1-3-20(16-6-4-5-13(2)11-16)17(21)19-15-9-7-14(12-18)8-10-15/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyMZFAUOONKMGABS-UHFFFAOYSA-N
XLogP3.93
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)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

2-N-(4-cyanophenyl)-6-N-ethyl-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109101116
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992795
1-(3-aminophenyl)-3-(3-cyanophenyl)-1-ethylurea
CID 63229843
1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
1-(4-aminophenyl)-3-(3-cyanophenyl)-1-ethylurea
CID 63233699
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea?
The IUPAC name of 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea (CID 108992791) is 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea.
What is the SMILES notation for 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea?
The canonical SMILES for 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea is CCN(C(=O)Nc1ccc(C#N)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea?
The InChIKey is MZFAUOONKMGABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-20(16-6-4-5-13(2)11-16)17(21)19-15-9-7-14(12-18)8-10-15/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea?
3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea has a molecular weight of 279.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea is sourced from PubChem (CID 108992791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).