N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C25H26N2O2 — CID 69445488

IUPACN-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1cccc2c1CN(CC(=O)NC(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C25H26N2O2/c1-29-23-14-8-13-19-15-16-27(17-22(19)23)18-24(28)26-25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,25H,15-18H2,1H3,(H,26,28)
InChIKeyCFRUNRIDFDXWAQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.96
Rot. Bonds6

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

N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 69445488) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID69445488
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1cccc2c1CN(CC(=O)NC(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C25H26N2O2/c1-29-23-14-8-13-19-15-16-27(17-22(19)23)18-24(28)26-25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,25H,15-18H2,1H3,(H,26,28)
InChIKeyCFRUNRIDFDXWAQ-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41173633
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8709816
N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 69448825
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279794
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 27197068
1-(3-ethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 69450559
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131
4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 2439104

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 69445488) is N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is COc1cccc2c1CN(CC(=O)NC(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is CFRUNRIDFDXWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-29-23-14-8-13-19-15-16-27(17-22(19)23)18-24(28)26-25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,25H,15-18H2,1H3,(H,26,28).
What are the key properties of N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 69445488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).