1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea

C16H15N3O — CID 3285930

IUPAC1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3O/c1-11-4-3-5-12(2)15(11)19-16(20)18-14-8-6-13(10-17)7-9-14/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyJBYYLKGODUQCOH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.82
Rot. Bonds2

About 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea

1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea (PubChem CID 3285930) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
PubChem CID3285930
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3O/c1-11-4-3-5-12(2)15(11)19-16(20)18-14-8-6-13(10-17)7-9-14/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyJBYYLKGODUQCOH-UHFFFAOYSA-N
XLogP3.82
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
1-(4-tert-butylphenyl)-3-(2,6-dimethylphenyl)urea
CID 108884885
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860121
N-(4-cyanophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954616
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
3-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16786471
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
1-(4-cyanophenyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea
CID 16662014
1-(4-cyanophenyl)-3-(3-formylphenyl)urea
CID 106912803
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea (CID 3285930) is 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea?
The InChIKey is JBYYLKGODUQCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-4-3-5-12(2)15(11)19-16(20)18-14-8-6-13(10-17)7-9-14/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea?
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea has a molecular weight of 265.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 3285930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).