2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide

C19H23N3O — CID 2381565

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H23N3O/c1-21(2)18-9-7-17(8-10-18)20-19(23)14-22-12-11-15-5-3-4-6-16(15)13-22/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyNJKSLKWQZLCSTD-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.75
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 2381565) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID2381565
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H23N3O/c1-21(2)18-9-7-17(8-10-18)20-19(23)14-22-12-11-15-5-3-4-6-16(15)13-22/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyNJKSLKWQZLCSTD-UHFFFAOYSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide (CID 2381565) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is NJKSLKWQZLCSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(2)18-9-7-17(8-10-18)20-19(23)14-22-12-11-15-5-3-4-6-16(15)13-22/h3-10H,11-14H2,1-2H3,(H,20,23).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 2381565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).