1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea

C14H26N2O2 — CID 47164010

IUPAC1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-10-2-4-11(5-3-10)15-14(18)16-12-6-8-13(17)9-7-12/h10-13,17H,2-9H2,1H3,(H2,15,16,18)
InChIKeyFWVDESXXJBOENU-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.17
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea

1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea (PubChem CID 47164010) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
PubChem CID47164010
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-10-2-4-11(5-3-10)15-14(18)16-12-6-8-13(17)9-7-12/h10-13,17H,2-9H2,1H3,(H2,15,16,18)
InChIKeyFWVDESXXJBOENU-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
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

1,3-Bis(4-hydroxycyclohexyl)urea
CID 11644572
3-Ethyl-1-(4-hydroxycyclohexyl)urea
CID 16640768
1-Cyclohexyl-3-(4-hydroxycyclohexyl)urea
CID 43393043
rac-3,3-dimethyl-1-((1R,4R)-4-hydroxycyclohexyl)urea
CID 110459912
1-Cyclohexyl-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 56764362
1-[(2-Hydroxycyclohexyl)methyl]-3-(4-methoxybutan-2-yl)-1-methylurea
CID 84597682
1-[(2-Hydroxycyclohexyl)methyl]-1-methyl-3-(4-propan-2-yloxycyclohexyl)urea
CID 86784714
1-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-hydroxycyclohexyl)-1-methylurea
CID 95351025
US20240262804, Example 237
CID 172430374
1-(4-Hydroxycyclohexyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 45818331
1-[(2-Hydroxycyclohexyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 84597439
1-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 97613068

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea (CID 47164010) is 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea is CC1CCC(NC(=O)NC2CCC(O)CC2)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea?
The InChIKey is FWVDESXXJBOENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-2-4-11(5-3-10)15-14(18)16-12-6-8-13(17)9-7-12/h10-13,17H,2-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea?
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea is sourced from PubChem (CID 47164010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).