2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide

C17H28N2O2 — CID 81108069

IUPAC2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC2(O)CCCCC2C1
InChIInChI=1S/C17H28N2O2/c1-3-10-19(11-4-2)16(20)14-18-12-9-17(21)8-6-5-7-15(17)13-18/h3-4,15,21H,1-2,5-14H2
InChIKeyJPWMNAUGUFMODV-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.81
Rot. Bonds6

About 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide

2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 81108069) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID81108069
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC2(O)CCCCC2C1
InChIInChI=1S/C17H28N2O2/c1-3-10-19(11-4-2)16(20)14-18-12-9-17(21)8-6-5-7-15(17)13-18/h3-4,15,21H,1-2,5-14H2
InChIKeyJPWMNAUGUFMODV-UHFFFAOYSA-N
XLogP1.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N-cyclopropyl-N-ethylacetamide
CID 81115110
2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81116355
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 81107738
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94158736
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 124749240
2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 62546166
1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 50983691
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-(4-methylphenyl)ethanone
CID 81096757
2-(2-piperidin-1-ylethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 114286638
2-(4-aminopiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 43556819
6-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)hexanoic acid
CID 81098229

Frequently Asked Questions

What is the IUPAC name of 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide (CID 81108069) is 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCC2(O)CCCCC2C1.
What is the InChIKey of 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is JPWMNAUGUFMODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-10-19(11-4-2)16(20)14-18-12-9-17(21)8-6-5-7-15(17)13-18/h3-4,15,21H,1-2,5-14H2.
What are the key properties of 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 292.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 81108069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).