1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea

C16H24N2O2 — CID 69479184

IUPAC1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-11-14(20-3)9-10-15(12)17-16(19)18(2)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,17,19)
InChIKeyOCUYJHLOGKQLFN-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.80
Rot. Bonds3

About 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea

1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea (PubChem CID 69479184) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
PubChem CID69479184
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-11-14(20-3)9-10-15(12)17-16(19)18(2)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,17,19)
InChIKeyOCUYJHLOGKQLFN-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61194151
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 109397032
4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide
CID 138037588
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 70862230
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide
CID 143825461

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea (CID 69479184) is 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea is COc1ccc(NC(=O)N(C)C2CCCCC2)c(C)c1.
What is the InChIKey of 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea?
The InChIKey is OCUYJHLOGKQLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-11-14(20-3)9-10-15(12)17-16(19)18(2)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea?
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea has a molecular weight of 276.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea is sourced from PubChem (CID 69479184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).