2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide

C12H24N2O2 — CID 102633360

IUPAC2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide
SMILESCCCNC(=O)COC1CCCCC1NC
InChIInChI=1S/C12H24N2O2/c1-3-8-14-12(15)9-16-11-7-5-4-6-10(11)13-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyRFERAJFDWQPPOK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds6

About 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide

2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide (PubChem CID 102633360) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide
PubChem CID102633360
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide
SMILESCCCNC(=O)COC1CCCCC1NC
InChIInChI=1S/C12H24N2O2/c1-3-8-14-12(15)9-16-11-7-5-4-6-10(11)13-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyRFERAJFDWQPPOK-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide?
The IUPAC name of 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide (CID 102633360) is 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide?
The canonical SMILES for 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide is CCCNC(=O)COC1CCCCC1NC.
What is the InChIKey of 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide?
The InChIKey is RFERAJFDWQPPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-8-14-12(15)9-16-11-7-5-4-6-10(11)13-2/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide?
2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide is sourced from PubChem (CID 102633360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).