3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea

C18H19N3O — CID 75442139

IUPAC3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O/c1-3-21(2)18(22)20-13-14-8-10-15(11-9-14)17-7-5-4-6-16(17)12-19/h4-11H,3,13H2,1-2H3,(H,20,22)
InChIKeyKGMHFRKHHWKGHH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.39
Rot. Bonds4

About 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea

3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea (PubChem CID 75442139) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea
PubChem CID75442139
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O/c1-3-21(2)18(22)20-13-14-8-10-15(11-9-14)17-7-5-4-6-16(17)12-19/h4-11H,3,13H2,1-2H3,(H,20,22)
InChIKeyKGMHFRKHHWKGHH-UHFFFAOYSA-N
XLogP3.39
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea (CID 75442139) is 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea is CCN(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea?
The InChIKey is KGMHFRKHHWKGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-21(2)18(22)20-13-14-8-10-15(11-9-14)17-7-5-4-6-16(17)12-19/h4-11H,3,13H2,1-2H3,(H,20,22).
What are the key properties of 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea?
3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea has a molecular weight of 293.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-cyanophenyl)phenyl]methyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 75442139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).