3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea

C16H32N2O2 — CID 138974640

IUPAC3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea
SMILESCCCCCCCCN(C)C(=O)NC1CCCCC1O
InChIInChI=1S/C16H32N2O2/c1-3-4-5-6-7-10-13-18(2)16(20)17-14-11-8-9-12-15(14)19/h14-15,19H,3-13H2,1-2H3,(H,17,20)
InChIKeyCKFAFBDFMZXATO-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.29
Rot. Bonds8

About 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea

3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea (PubChem CID 138974640) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea.

Molecular Properties

Compound Name3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea
PubChem CID138974640
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea
SMILESCCCCCCCCN(C)C(=O)NC1CCCCC1O
InChIInChI=1S/C16H32N2O2/c1-3-4-5-6-7-10-13-18(2)16(20)17-14-11-8-9-12-15(14)19/h14-15,19H,3-13H2,1-2H3,(H,17,20)
InChIKeyCKFAFBDFMZXATO-UHFFFAOYSA-N
XLogP3.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea?
The IUPAC name of 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea (CID 138974640) is 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea.
What is the SMILES notation for 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea?
The canonical SMILES for 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea is CCCCCCCCN(C)C(=O)NC1CCCCC1O.
What is the InChIKey of 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea?
The InChIKey is CKFAFBDFMZXATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-4-5-6-7-10-13-18(2)16(20)17-14-11-8-9-12-15(14)19/h14-15,19H,3-13H2,1-2H3,(H,17,20).
What are the key properties of 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea?
3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea has a molecular weight of 284.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclohexyl)-1-methyl-1-octylurea is sourced from PubChem (CID 138974640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).