1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea

C16H24N2O — CID 4089734

IUPAC1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
SMILESCc1ccc(NC(=O)N(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-12-9-10-15(13(2)11-12)17-16(19)18(3)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,17,19)
InChIKeyXLWWKJVOYKVOEV-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.10
Rot. Bonds2

About 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea

1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea (PubChem CID 4089734) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
PubChem CID4089734
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
SMILESCc1ccc(NC(=O)N(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-12-9-10-15(13(2)11-12)17-16(19)18(3)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,17,19)
InChIKeyXLWWKJVOYKVOEV-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 45267881
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61194151
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea
CID 23800118
5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
CID 61189598
3-(2,4-dimethylphenyl)-1-methyl-1-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]urea
CID 70022878
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea (CID 4089734) is 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea is Cc1ccc(NC(=O)N(C)C2CCCCC2)c(C)c1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea?
The InChIKey is XLWWKJVOYKVOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-9-10-15(13(2)11-12)17-16(19)18(3)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea?
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea has a molecular weight of 260.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea is sourced from PubChem (CID 4089734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).