1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea

C14H26N2O2 — CID 115270084

IUPAC1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NC1CCCCC1)NC1CCC(CO)CC1
InChIInChI=1S/C14H26N2O2/c17-10-11-6-8-13(9-7-11)16-14(18)15-12-4-2-1-3-5-12/h11-13,17H,1-10H2,(H2,15,16,18)
InChIKeyJJHOEZYMAOGCJB-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.17
Rot. Bonds3

About 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea

1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea (PubChem CID 115270084) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
PubChem CID115270084
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NC1CCCCC1)NC1CCC(CO)CC1
InChIInChI=1S/C14H26N2O2/c17-10-11-6-8-13(9-7-11)16-14(18)15-12-4-2-1-3-5-12/h11-13,17H,1-10H2,(H2,15,16,18)
InChIKeyJJHOEZYMAOGCJB-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 75425944
cyclotetradecylmethanol
CID 23468347
1-cyclohexyl-3-(1-oxothian-4-yl)urea
CID 116657894
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea
CID 167834563

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea (CID 115270084) is 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea is O=C(NC1CCCCC1)NC1CCC(CO)CC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is JJHOEZYMAOGCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-10-11-6-8-13(9-7-11)16-14(18)15-12-4-2-1-3-5-12/h11-13,17H,1-10H2,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea?
1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 254.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 115270084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).