N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C26H28N2O2 — CID 69448825

IUPACN-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2cccc(O)c2C1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c29-25-13-7-12-22-15-17-28(18-24(22)25)19-26(30)27-16-14-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,23,29H,14-19H2,(H,27,30)
InChIKeyRPQFYGXEMNXMQF-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.09
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 69448825) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID69448825
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2cccc(O)c2C1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c29-25-13-7-12-22-15-17-28(18-24(22)25)19-26(30)27-16-14-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,23,29H,14-19H2,(H,27,30)
InChIKeyRPQFYGXEMNXMQF-UHFFFAOYSA-N
XLogP4.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-diphenylbutyl)-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 69447948
N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide
CID 69451417
N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide
CID 58938041
4-[[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]butanoic acid
CID 114523943
N-(2-acetamidoethyl)-2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 114524162
N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 69445488
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-butylacetamide
CID 114524122
N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801327
N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 52900698
N-(3,3-diphenylpropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014704
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propylacetamide
CID 54949308
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 69448825) is N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is O=C(CN1CCc2cccc(O)c2C1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is RPQFYGXEMNXMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c29-25-13-7-12-22-15-17-28(18-24(22)25)19-26(30)27-16-14-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,23,29H,14-19H2,(H,27,30).
What are the key properties of N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 400.52 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 69448825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).