3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea

C17H26N2O2 — CID 110287969

IUPAC3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-19(17(20)18-15-6-4-3-5-7-15)13-12-14-8-10-16(21-2)11-9-14/h8-11,15H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyJWPZOHMGUNQVEJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds5

About 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea

3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 110287969) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
PubChem CID110287969
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-19(17(20)18-15-6-4-3-5-7-15)13-12-14-8-10-16(21-2)11-9-14/h8-11,15H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyJWPZOHMGUNQVEJ-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110307110
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
CID 42696184
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine
CID 143482708
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 42900696

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea (CID 110287969) is 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea is COc1ccc(CCN(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is JWPZOHMGUNQVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(17(20)18-15-6-4-3-5-7-15)13-12-14-8-10-16(21-2)11-9-14/h8-11,15H,3-7,12-13H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 290.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 110287969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).