1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea

C14H27N3O2 — CID 47217166

IUPAC1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC1CCCCC1NC(=O)NCCN1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-12-4-2-3-5-13(12)16-14(18)15-6-7-17-8-10-19-11-9-17/h12-13H,2-11H2,1H3,(H2,15,16,18)
InChIKeyILZPVFNEIRSVGS-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.20
Rot. Bonds4

About 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea

1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 47217166) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID47217166
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC1CCCCC1NC(=O)NCCN1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-12-4-2-3-5-13(12)16-14(18)15-6-7-17-8-10-19-11-9-17/h12-13H,2-11H2,1H3,(H2,15,16,18)
InChIKeyILZPVFNEIRSVGS-UHFFFAOYSA-N
XLogP1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea (CID 47217166) is 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea is CC1CCCCC1NC(=O)NCCN1CCOCC1.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is ILZPVFNEIRSVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12-4-2-3-5-13(12)16-14(18)15-6-7-17-8-10-19-11-9-17/h12-13H,2-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea?
1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 269.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 47217166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).