N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide

C13H24N2O2 — CID 81115640

IUPACN-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCC2(O)CCCCC2C1
InChIInChI=1S/C13H24N2O2/c1-11(16)14-7-9-15-8-6-13(17)5-3-2-4-12(13)10-15/h12,17H,2-10H2,1H3,(H,14,16)
InChIKeyAWMHTDMDEWYTNQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds3

About N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide

N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide (PubChem CID 81115640) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide
PubChem CID81115640
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCC2(O)CCCCC2C1
InChIInChI=1S/C13H24N2O2/c1-11(16)14-7-9-15-8-6-13(17)5-3-2-4-12(13)10-15/h12,17H,2-10H2,1H3,(H,14,16)
InChIKeyAWMHTDMDEWYTNQ-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide (CID 81115640) is N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide is CC(=O)NCCN1CCC2(O)CCCCC2C1.
What is the InChIKey of N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide?
The InChIKey is AWMHTDMDEWYTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(16)14-7-9-15-8-6-13(17)5-3-2-4-12(13)10-15/h12,17H,2-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide?
N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide has a molecular weight of 240.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 81115640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).