3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea

C17H26N2O2 — CID 87013249

IUPAC3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
SMILESCCN(Cc1ccc(OC)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-19(13-14-9-11-16(21-2)12-10-14)17(20)18-15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,18,20)
InChIKeyKQHRJZNQSLKUNT-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.56
Rot. Bonds5

About 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea

3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea (PubChem CID 87013249) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
PubChem CID87013249
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
SMILESCCN(Cc1ccc(OC)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-19(13-14-9-11-16(21-2)12-10-14)17(20)18-15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,18,20)
InChIKeyKQHRJZNQSLKUNT-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
CID 42696184
3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110287969
3-cyclooctyl-1-[2-(dimethylamino)ethyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 17065647
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100516413
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151240
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809790

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea (CID 87013249) is 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea is CCN(Cc1ccc(OC)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea?
The InChIKey is KQHRJZNQSLKUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(13-14-9-11-16(21-2)12-10-14)17(20)18-15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea?
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea has a molecular weight of 290.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 87013249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).