1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea

C16H22N2O — CID 108912475

IUPAC1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC=C2CCCCC2)c(C)c1
InChIInChI=1S/C16H22N2O/c1-12-8-9-15(13(2)10-12)18-16(19)17-11-14-6-4-3-5-7-14/h8-11H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyCOAKNJHBWHLWPD-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.27
Rot. Bonds2

About 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea

1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea (PubChem CID 108912475) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea
PubChem CID108912475
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC=C2CCCCC2)c(C)c1
InChIInChI=1S/C16H22N2O/c1-12-8-9-15(13(2)10-12)18-16(19)17-11-14-6-4-3-5-7-14/h8-11H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyCOAKNJHBWHLWPD-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea
CID 108912676
1-(cyclohexylidenemethyl)-3-(2-methylphenyl)urea
CID 108912377
1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108913521
1-(cyclohexylidenemethyl)-3-(2,4-dichlorophenyl)urea
CID 108912397
1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea
CID 108912672
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide
CID 4677008
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
CID 108912618
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8895898
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea (CID 108912475) is 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NC=C2CCCCC2)c(C)c1.
What is the InChIKey of 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea?
The InChIKey is COAKNJHBWHLWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-8-9-15(13(2)10-12)18-16(19)17-11-14-6-4-3-5-7-14/h8-11H,3-7H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea?
1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea has a molecular weight of 258.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 108912475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).