1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea

C18H19N3O — CID 108991723

IUPAC1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H19N3O/c1-12(2)15-9-6-7-13(3)17(15)21-18(22)20-16-10-5-4-8-14(16)11-19/h4-10,12H,1-3H3,(H2,20,21,22)
InChIKeyKPOFHZSVDINQGD-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.63
Rot. Bonds3

About 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea

1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 108991723) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID108991723
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H19N3O/c1-12(2)15-9-6-7-13(3)17(15)21-18(22)20-16-10-5-4-8-14(16)11-19/h4-10,12H,1-3H3,(H2,20,21,22)
InChIKeyKPOFHZSVDINQGD-UHFFFAOYSA-N
XLogP4.63
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849713
2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3634082
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275885
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 108991723) is 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea is Cc1cccc(C(C)C)c1NC(=O)Nc1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is KPOFHZSVDINQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)15-9-6-7-13(3)17(15)21-18(22)20-16-10-5-4-8-14(16)11-19/h4-10,12H,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 293.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 108991723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).