2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C13H18N2O — CID 110456802

IUPAC2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCCc1ccc2c(c1)CN(CC(N)=O)CC2
InChIInChI=1S/C13H18N2O/c1-2-10-3-4-11-5-6-15(9-13(14)16)8-12(11)7-10/h3-4,7H,2,5-6,8-9H2,1H3,(H2,14,16)
InChIKeyNOSUUJYKIWIVCN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.09
Rot. Bonds3

About 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 110456802) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID110456802
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCCc1ccc2c(c1)CN(CC(N)=O)CC2
InChIInChI=1S/C13H18N2O/c1-2-10-3-4-11-5-6-15(9-13(14)16)8-12(11)7-10/h3-4,7H,2,5-6,8-9H2,1H3,(H2,14,16)
InChIKeyNOSUUJYKIWIVCN-UHFFFAOYSA-N
XLogP1.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine
CID 176702451
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456931
1-(azetidin-1-yl)-2-(6-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138530494
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
ethane;7-ethyl-2-(3-fluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 171523747
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
(Z)-2-amino-3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybut-2-enal
CID 88577244
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 168897972
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-[3-(4-chlorophenyl)propyl]-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 110456814

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 110456802) is 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is CCc1ccc2c(c1)CN(CC(N)=O)CC2.
What is the InChIKey of 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is NOSUUJYKIWIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-3-4-11-5-6-15(9-13(14)16)8-12(11)7-10/h3-4,7H,2,5-6,8-9H2,1H3,(H2,14,16).
What are the key properties of 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 218.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 110456802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).