1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea

C14H20N2O2 — CID 4550519

IUPAC1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1ccccc1CO)NC1CCCCC1
InChIInChI=1S/C14H20N2O2/c17-10-11-6-4-5-9-13(11)16-14(18)15-12-7-2-1-3-8-12/h4-6,9,12,17H,1-3,7-8,10H2,(H2,15,16,18)
InChIKeyUJCKPTOSANOBLN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.63
Rot. Bonds3

About 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea

1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea (PubChem CID 4550519) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea
PubChem CID4550519
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1ccccc1CO)NC1CCCCC1
InChIInChI=1S/C14H20N2O2/c17-10-11-6-4-5-9-13(11)16-14(18)15-12-7-2-1-3-8-12/h4-6,9,12,17H,1-3,7-8,10H2,(H2,15,16,18)
InChIKeyUJCKPTOSANOBLN-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11732727
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea (CID 4550519) is 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea is O=C(Nc1ccccc1CO)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea?
The InChIKey is UJCKPTOSANOBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-11-6-4-5-9-13(11)16-14(18)15-12-7-2-1-3-8-12/h4-6,9,12,17H,1-3,7-8,10H2,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea?
1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea has a molecular weight of 248.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 4550519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).