N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide

C23H22N2O — CID 86096240

IUPACN-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)cc2c1CCCC2
InChIInChI=1S/C23H22N2O/c1-16(26)24-21-14-8-7-13-20(21)23-19-12-6-5-11-18(19)15-22(25-23)17-9-3-2-4-10-17/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,24,26)
InChIKeyIVXGLFMIQJVDBL-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.25
Rot. Bonds3

About N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide

N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide (PubChem CID 86096240) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide
PubChem CID86096240
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)cc2c1CCCC2
InChIInChI=1S/C23H22N2O/c1-16(26)24-21-14-8-7-13-20(21)23-19-12-6-5-11-18(19)15-22(25-23)17-9-3-2-4-10-17/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,24,26)
InChIKeyIVXGLFMIQJVDBL-UHFFFAOYSA-N
XLogP5.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)benzoate
CID 101387373
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 118529738
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122282712
N,3-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine
CID 14909209
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 55345448
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 130012074
N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide
CID 67199183
N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide
CID 87307305
6-(2-acetamidophenyl)pyridine-3-carboxylic acid
CID 53427670

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide (CID 86096240) is N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide is CC(=O)Nc1ccccc1-c1nc(-c2ccccc2)cc2c1CCCC2.
What is the InChIKey of N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide?
The InChIKey is IVXGLFMIQJVDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16(26)24-21-14-8-7-13-20(21)23-19-12-6-5-11-18(19)15-22(25-23)17-9-3-2-4-10-17/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,24,26).
What are the key properties of N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide?
N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide is sourced from PubChem (CID 86096240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).