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

C15H22N2O2 — CID 854988

IUPAC1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-19-14-9-7-12(8-10-14)11-16-15(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyVTECDOINERAXHW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.83
Rot. Bonds4

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

1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 854988) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
PubChem CID854988
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-19-14-9-7-12(8-10-14)11-16-15(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyVTECDOINERAXHW-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
CID 47172067
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304
1-cyclopentyl-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110991210
N-cyclohexyl-3-[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111183146
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea (CID 854988) is 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is VTECDOINERAXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-9-7-12(8-10-14)11-16-15(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea?
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 262.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 854988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).