1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea

C14H20N2O2 — CID 108902801

IUPAC1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(O)cc1
InChIInChI=1S/C14H20N2O2/c17-13-8-6-12(7-9-13)16-14(18)15-10-11-4-2-1-3-5-11/h6-9,11,17H,1-5,10H2,(H2,15,16,18)
InChIKeyNSJMBHLFBSZLGL-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.09
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea

1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea (PubChem CID 108902801) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
PubChem CID108902801
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(O)cc1
InChIInChI=1S/C14H20N2O2/c17-13-8-6-12(7-9-13)16-14(18)15-10-11-4-2-1-3-5-11/h6-9,11,17H,1-5,10H2,(H2,15,16,18)
InChIKeyNSJMBHLFBSZLGL-UHFFFAOYSA-N
XLogP3.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
CID 46494092
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
1-(4-hydroxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235796
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66936252
4-(cyclooctylmethylamino)phenol
CID 53404225
1-(4-sulfanylphenyl)-3-[[3-[[(4-sulfanylphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43834026

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea (CID 108902801) is 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea is O=C(NCC1CCCCC1)Nc1ccc(O)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea?
The InChIKey is NSJMBHLFBSZLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13-8-6-12(7-9-13)16-14(18)15-10-11-4-2-1-3-5-11/h6-9,11,17H,1-5,10H2,(H2,15,16,18).
What are the key properties of 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea?
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea has a molecular weight of 248.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 108902801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).