N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide

C26H28N2O — CID 22742744

IUPACN-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCc2ccccc2C1Cc1ccccc1
InChIInChI=1S/C26H28N2O/c1-27(19-22-12-6-3-7-13-22)26(29)20-28-17-16-23-14-8-9-15-24(23)25(28)18-21-10-4-2-5-11-21/h2-15,25H,16-20H2,1H3
InChIKeyZUJDKEDYJUPFAN-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.49
Rot. Bonds6

About N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide

N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide (PubChem CID 22742744) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
PubChem CID22742744
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCc2ccccc2C1Cc1ccccc1
InChIInChI=1S/C26H28N2O/c1-27(19-22-12-6-3-7-13-22)26(29)20-28-17-16-23-14-8-9-15-24(23)25(28)18-21-10-4-2-5-11-21/h2-15,25H,16-20H2,1H3
InChIKeyZUJDKEDYJUPFAN-UHFFFAOYSA-N
XLogP4.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
CID 63949438
4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 71908886
N-benzyl-N-methyl-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55432262
4-[[methyl-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]methyl]benzoic acid
CID 119226040
2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide
CID 22742601
N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412408
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
CID 62656234
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
(2S)-2-amino-1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 99704618
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
(1S)-1-benzyl-N-ethyl-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 97102375

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide (CID 22742744) is N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1CCc2ccccc2C1Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide?
The InChIKey is ZUJDKEDYJUPFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-27(19-22-12-6-3-7-13-22)26(29)20-28-17-16-23-14-8-9-15-24(23)25(28)18-21-10-4-2-5-11-21/h2-15,25H,16-20H2,1H3.
What are the key properties of N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide?
N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide has a molecular weight of 384.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide is sourced from PubChem (CID 22742744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).