2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide

C30H30N2O — CID 22742601

IUPAC2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCc2ccccc2C1Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H30N2O/c1-22(26-17-9-14-24-12-5-7-15-27(24)26)31-30(33)21-32-19-18-25-13-6-8-16-28(25)29(32)20-23-10-3-2-4-11-23/h2-17,22,29H,18-21H2,1H3,(H,31,33)
InChIKeyLCXPFNFFURACNW-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.86
Rot. Bonds6

About 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide

2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 22742601) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID22742601
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCc2ccccc2C1Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H30N2O/c1-22(26-17-9-14-24-12-5-7-15-27(24)26)31-30(33)21-32-19-18-25-13-6-8-16-28(25)29(32)20-23-10-3-2-4-11-23/h2-17,22,29H,18-21H2,1H3,(H,31,33)
InChIKeyLCXPFNFFURACNW-UHFFFAOYSA-N
XLogP5.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 22742744
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-naphthalen-1-ylethyl]-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 177422624
(2S)-2-amino-1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 99704618
4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 71908886
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8786713
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 111442554
N-[(1R)-1-naphthalen-1-ylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11929315
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 122184258
2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22742765

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide (CID 22742601) is 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide is CC(NC(=O)CN1CCc2ccccc2C1Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is LCXPFNFFURACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-22(26-17-9-14-24-12-5-7-15-27(24)26)31-30(33)21-32-19-18-25-13-6-8-16-28(25)29(32)20-23-10-3-2-4-11-23/h2-17,22,29H,18-21H2,1H3,(H,31,33).
What are the key properties of 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide?
2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 434.58 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 22742601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).