2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide

C17H22N2O — CID 114490988

IUPAC2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1cccc2c1CNCC2
InChIInChI=1S/C17H22N2O/c20-17(11-13-5-2-1-3-6-13)19-16-8-4-7-14-9-10-18-12-15(14)16/h4-5,7-8,18H,1-3,6,9-12H2,(H,19,20)
InChIKeySMFMMDZNPDBITM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.16
Rot. Bonds3

About 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide

2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide (PubChem CID 114490988) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
PubChem CID114490988
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1cccc2c1CNCC2
InChIInChI=1S/C17H22N2O/c20-17(11-13-5-2-1-3-6-13)19-16-8-4-7-14-9-10-18-12-15(14)16/h4-5,7-8,18H,1-3,6,9-12H2,(H,19,20)
InChIKeySMFMMDZNPDBITM-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 112602533
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]benzoate
CID 63563667
2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 63563470
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
CID 80554562
2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
CID 63563087
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide
CID 139012958
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491001
4-[[2-(cyclohexen-1-yl)acetyl]amino]-3-fluorobenzoic acid
CID 63565174
2-(3-fluorophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 26515848

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide (CID 114490988) is 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide is O=C(CC1=CCCCC1)Nc1cccc2c1CNCC2.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
The InChIKey is SMFMMDZNPDBITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17(11-13-5-2-1-3-6-13)19-16-8-4-7-14-9-10-18-12-15(14)16/h4-5,7-8,18H,1-3,6,9-12H2,(H,19,20).
What are the key properties of 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide has a molecular weight of 270.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide is sourced from PubChem (CID 114490988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).