1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea

C22H28N2O — CID 14977502

IUPAC1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
SMILESCc1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)c(C)c1
InChIInChI=1S/C22H28N2O/c1-17-11-12-20(18(2)15-17)24-21(25)23-16-22(13-7-4-8-14-22)19-9-5-3-6-10-19/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H2,23,24,25)
InChIKeyOQWQDRNZODZFHJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.33
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea

1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea (PubChem CID 14977502) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
PubChem CID14977502
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
SMILESCc1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)c(C)c1
InChIInChI=1S/C22H28N2O/c1-17-11-12-20(18(2)15-17)24-21(25)23-16-22(13-7-4-8-14-22)19-9-5-3-6-10-19/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H2,23,24,25)
InChIKeyOQWQDRNZODZFHJ-UHFFFAOYSA-N
XLogP5.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea (CID 14977502) is 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea is Cc1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea?
The InChIKey is OQWQDRNZODZFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-11-12-20(18(2)15-17)24-21(25)23-16-22(13-7-4-8-14-22)19-9-5-3-6-10-19/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea?
1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea has a molecular weight of 336.48 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea is sourced from PubChem (CID 14977502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).