ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C14H22N2O — CID 171523229

IUPACethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCC.Cc1ccc2c(c1)CN(CC(N)=O)CC2
InChIInChI=1S/C12H16N2O.C2H6/c1-9-2-3-10-4-5-14(8-12(13)15)7-11(10)6-9;1-2/h2-3,6H,4-5,7-8H2,1H3,(H2,13,15);1-2H3
InChIKeyRHOSYKNNUTUEMN-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.86
Rot. Bonds2

About ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 171523229) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID171523229
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Nameethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCC.Cc1ccc2c(c1)CN(CC(N)=O)CC2
InChIInChI=1S/C12H16N2O.C2H6/c1-9-2-3-10-4-5-14(8-12(13)15)7-11(10)6-9;1-2/h2-3,6H,4-5,7-8H2,1H3,(H2,13,15);1-2H3
InChIKeyRHOSYKNNUTUEMN-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456931
2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279778
1-(2-chloro-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 82050185
ethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168897909
7-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 138537394
2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456723
[1-[[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-2-phenylethyl]boronic acid
CID 142595860
4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
1-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one
CID 90188718
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113
7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 162521919

Frequently Asked Questions

What is the IUPAC name of ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 171523229) is ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is CC.Cc1ccc2c(c1)CN(CC(N)=O)CC2.
What is the InChIKey of ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is RHOSYKNNUTUEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C2H6/c1-9-2-3-10-4-5-14(8-12(13)15)7-11(10)6-9;1-2/h2-3,6H,4-5,7-8H2,1H3,(H2,13,15);1-2H3.
What are the key properties of ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 171523229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).