2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide

C18H20N2O2 — CID 60585254

IUPAC2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
SMILESCOc1ccc2c(c1)CN(CC(=O)Nc1ccccc1)CC2
InChIInChI=1S/C18H20N2O2/c1-22-17-8-7-14-9-10-20(12-15(14)11-17)13-18(21)19-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyBCFSBTMXPIUBGD-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.69
Rot. Bonds4

About 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide

2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide (PubChem CID 60585254) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
PubChem CID60585254
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
SMILESCOc1ccc2c(c1)CN(CC(=O)Nc1ccccc1)CC2
InChIInChI=1S/C18H20N2O2/c1-22-17-8-7-14-9-10-20(12-15(14)11-17)13-18(21)19-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyBCFSBTMXPIUBGD-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 60585239
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide
CID 99782007
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8760808
methyl 4-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzoate
CID 8760683
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
2-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-phenylacetamide
CID 71935444
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808
2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 71708711
N-(3,5-dimethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 27194413

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide (CID 60585254) is 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide is COc1ccc2c(c1)CN(CC(=O)Nc1ccccc1)CC2.
What is the InChIKey of 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide?
The InChIKey is BCFSBTMXPIUBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-8-7-14-9-10-20(12-15(14)11-17)13-18(21)19-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide?
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide has a molecular weight of 296.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide is sourced from PubChem (CID 60585254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).