1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea

C23H28N4O — CID 155198488

IUPAC1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea
SMILESCN(C)C1(c2ccccc2)CCC(CN(C(N)=O)c2ccccc2C#N)CC1
InChIInChI=1S/C23H28N4O/c1-26(2)23(20-9-4-3-5-10-20)14-12-18(13-15-23)17-27(22(25)28)21-11-7-6-8-19(21)16-24/h3-11,18H,12-15,17H2,1-2H3,(H2,25,28)
InChIKeyZDGJOFBZCORDGN-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.09
Rot. Bonds5

About 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea

1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea (PubChem CID 155198488) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea
PubChem CID155198488
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea
SMILESCN(C)C1(c2ccccc2)CCC(CN(C(N)=O)c2ccccc2C#N)CC1
InChIInChI=1S/C23H28N4O/c1-26(2)23(20-9-4-3-5-10-20)14-12-18(13-15-23)17-27(22(25)28)21-11-7-6-8-19(21)16-24/h3-11,18H,12-15,17H2,1-2H3,(H2,25,28)
InChIKeyZDGJOFBZCORDGN-UHFFFAOYSA-N
XLogP4.09
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea?
The IUPAC name of 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea (CID 155198488) is 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea.
What is the SMILES notation for 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea?
The canonical SMILES for 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea is CN(C)C1(c2ccccc2)CCC(CN(C(N)=O)c2ccccc2C#N)CC1.
What is the InChIKey of 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea?
The InChIKey is ZDGJOFBZCORDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-26(2)23(20-9-4-3-5-10-20)14-12-18(13-15-23)17-27(22(25)28)21-11-7-6-8-19(21)16-24/h3-11,18H,12-15,17H2,1-2H3,(H2,25,28).
What are the key properties of 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea?
1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea has a molecular weight of 376.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]urea is sourced from PubChem (CID 155198488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).