3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea

C18H28N2O2 — CID 86029483

IUPAC3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1cccc(CCCC2CCCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-20(22-2)18(21)19-17-13-7-12-16(14-17)11-6-10-15-8-4-3-5-9-15/h7,12-15H,3-6,8-11H2,1-2H3,(H,19,21)
InChIKeyWUSBEPAYYTVODS-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.61
Rot. Bonds6

About 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea

3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea (PubChem CID 86029483) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea
PubChem CID86029483
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1cccc(CCCC2CCCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-20(22-2)18(21)19-17-13-7-12-16(14-17)11-6-10-15-8-4-3-5-9-15/h7,12-15H,3-6,8-11H2,1-2H3,(H,19,21)
InChIKeyWUSBEPAYYTVODS-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea
CID 86029488
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500
3-[3-[3-(3,4-dichlorophenyl)propyl]phenyl]-1-methoxy-1-methylurea
CID 54419076
3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea
CID 23275933
N-[3-(2-cyclohexylethyl)phenyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22019671
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120
1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 13424059
1-(3-cyclohexylpropyl)-3-ethoxybenzene
CID 91039884
3-[3-(2-chloroethoxy)phenyl]-1-methoxy-1-methylurea
CID 54473679
1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106016510
3-[3-[(2-cyclopentyl-2-methylpropanoyl)amino]phenyl]propanoic acid
CID 120538121
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea?
The IUPAC name of 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea (CID 86029483) is 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea.
What is the SMILES notation for 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea?
The canonical SMILES for 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea is CON(C)C(=O)Nc1cccc(CCCC2CCCCC2)c1.
What is the InChIKey of 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea?
The InChIKey is WUSBEPAYYTVODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20(22-2)18(21)19-17-13-7-12-16(14-17)11-6-10-15-8-4-3-5-9-15/h7,12-15H,3-6,8-11H2,1-2H3,(H,19,21).
What are the key properties of 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea?
3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea has a molecular weight of 304.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea is sourced from PubChem (CID 86029483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).