N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide

C26H28N2O2 — CID 46041766

IUPACN-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide
SMILESCCN1CCc2ccc(OCC(=O)NCc3ccccc3)cc2C1c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-2-28-16-15-21-13-14-23(17-24(21)26(28)22-11-7-4-8-12-22)30-19-25(29)27-18-20-9-5-3-6-10-20/h3-14,17,26H,2,15-16,18-19H2,1H3,(H,27,29)
InChIKeyLILDPIDCFWXUFF-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.35
Rot. Bonds7

About N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide

N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide (PubChem CID 46041766) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide
PubChem CID46041766
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide
SMILESCCN1CCc2ccc(OCC(=O)NCc3ccccc3)cc2C1c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-2-28-16-15-21-13-14-23(17-24(21)26(28)22-11-7-4-8-12-22)30-19-25(29)27-18-20-9-5-3-6-10-20/h3-14,17,26H,2,15-16,18-19H2,1H3,(H,27,29)
InChIKeyLILDPIDCFWXUFF-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
CID 42849780
N-benzyl-2-[[2-(3-methylbutanoyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetamide
CID 46057538
N-(2-methylpropyl)-2-[[(1R)-1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetamide
CID 93333975
N-[(3-methylphenyl)methyl]-2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetamide
CID 42860651
(2R)-2-[[(1R)-2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-ethylpropanamide
CID 92985263
(2S)-2-[[(1R)-2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-ethylpropanamide
CID 92985264
2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(2-pyridin-2-ylethyl)acetamide
CID 42859778
2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 93334963
(2R)-N-benzyl-2-[[(1S)-2-[(2-fluorophenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide
CID 92984366
N-[(3-methylphenyl)methyl]-2-[[2-[(3-methylphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanamide
CID 46041801
5-[[(1R)-2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 92987814
2-[[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-4-ylmethyl)acetamide
CID 42862669

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide?
The IUPAC name of N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide (CID 46041766) is N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide?
The canonical SMILES for N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide is CCN1CCc2ccc(OCC(=O)NCc3ccccc3)cc2C1c1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide?
The InChIKey is LILDPIDCFWXUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-2-28-16-15-21-13-14-23(17-24(21)26(28)22-11-7-4-8-12-22)30-19-25(29)27-18-20-9-5-3-6-10-20/h3-14,17,26H,2,15-16,18-19H2,1H3,(H,27,29).
What are the key properties of N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide?
N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide has a molecular weight of 400.52 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetamide is sourced from PubChem (CID 46041766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).