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

C23H22N2O2 — CID 5156639

IUPACN-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(CC1NCCc2ccccc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c26-23(16-22-21-9-5-4-6-17(21)14-15-24-22)25-18-10-12-20(13-11-18)27-19-7-2-1-3-8-19/h1-13,22,24H,14-16H2,(H,25,26)
InChIKeyPGQAPBDURPHHDJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.69
Rot. Bonds5

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

N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (PubChem CID 5156639) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
PubChem CID5156639
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(CC1NCCc2ccccc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c26-23(16-22-21-9-5-4-6-17(21)14-15-24-22)25-18-10-12-20(13-11-18)27-19-7-2-1-3-8-19/h1-13,22,24H,14-16H2,(H,25,26)
InChIKeyPGQAPBDURPHHDJ-UHFFFAOYSA-N
XLogP4.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (CID 5156639) is N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is O=C(CC1NCCc2ccccc21)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The InChIKey is PGQAPBDURPHHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-23(16-22-21-9-5-4-6-17(21)14-15-24-22)25-18-10-12-20(13-11-18)27-19-7-2-1-3-8-19/h1-13,22,24H,14-16H2,(H,25,26).
What are the key properties of N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 5156639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).