1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea

C14H26N2O2 — CID 110933307

IUPAC1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)NC2CCCCC2O)C1
InChIInChI=1S/C14H26N2O2/c1-10-5-4-6-11(9-10)15-14(18)16-12-7-2-3-8-13(12)17/h10-13,17H,2-9H2,1H3,(H2,15,16,18)
InChIKeyOCEGQWYHEWDXAY-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.17
Rot. Bonds2

About 1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea

1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea (PubChem CID 110933307) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea
PubChem CID110933307
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)NC2CCCCC2O)C1
InChIInChI=1S/C14H26N2O2/c1-10-5-4-6-11(9-10)15-14(18)16-12-7-2-3-8-13(12)17/h10-13,17H,2-9H2,1H3,(H2,15,16,18)
InChIKeyOCEGQWYHEWDXAY-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea (CID 110933307) is 1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea is CC1CCCC(NC(=O)NC2CCCCC2O)C1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea?
The InChIKey is OCEGQWYHEWDXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-5-4-6-11(9-10)15-14(18)16-12-7-2-3-8-13(12)17/h10-13,17H,2-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea?
1-(2-hydroxycyclohexyl)-3-(3-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-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea is sourced from PubChem (CID 110933307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).