2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide

C12H22N2O2 — CID 102633375

IUPAC2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COC1CCCCC1NC
InChIInChI=1S/C12H22N2O2/c1-3-8-14-12(15)9-16-11-7-5-4-6-10(11)13-2/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyJOOTUCFDYVLGCH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.84
Rot. Bonds6

About 2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide

2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide (PubChem CID 102633375) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide
PubChem CID102633375
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COC1CCCCC1NC
InChIInChI=1S/C12H22N2O2/c1-3-8-14-12(15)9-16-11-7-5-4-6-10(11)13-2/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyJOOTUCFDYVLGCH-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide (CID 102633375) is 2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide is C=CCNC(=O)COC1CCCCC1NC.
What is the InChIKey of 2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide?
The InChIKey is JOOTUCFDYVLGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-8-14-12(15)9-16-11-7-5-4-6-10(11)13-2/h3,10-11,13H,1,4-9H2,2H3,(H,14,15).
What are the key properties of 2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide?
2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.84, 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-prop-2-enylacetamide is sourced from PubChem (CID 102633375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).