N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide

C19H23N2O2+ — CID 8877239

IUPACN-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)C[n+]2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-9-7-17(8-10-18)20-19(22)14-21-12-11-15-5-3-4-6-16(15)13-21/h7-13H,2-6,14H2,1H3/p+1
InChIKeyQVLOTKCKCMRIMN-UHFFFAOYSA-O
MW311.41 g/mol
LogP2.89
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide

N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide (PubChem CID 8877239) has the molecular formula C19H23N2O2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide
PubChem CID8877239
Molecular FormulaC19H23N2O2+
Molecular Weight311.41 g/mol
Exact Mass311.18
IUPAC NameN-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)C[n+]2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-9-7-17(8-10-18)20-19(22)14-21-12-11-15-5-3-4-6-16(15)13-21/h7-13H,2-6,14H2,1H3/p+1
InChIKeyQVLOTKCKCMRIMN-UHFFFAOYSA-O
XLogP2.89
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-4-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide
CID 8876664
dimethyl 5-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 8876868
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 3165617
N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide
CID 8856674
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]pyridin-1-ium-4-carboxamide chloride
CID 171114767
2-isoquinolin-2-ium-2-yl-N-(4-methoxyphenyl)acetamide
CID 8829241
2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide
CID 39159146
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942054
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide (CID 8877239) is N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide is CCOc1ccc(NC(=O)C[n+]2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide?
The InChIKey is QVLOTKCKCMRIMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-18-9-7-17(8-10-18)20-19(22)14-21-12-11-15-5-3-4-6-16(15)13-21/h7-13H,2-6,14H2,1H3/p+1.
What are the key properties of N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide?
N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide is sourced from PubChem (CID 8877239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).