N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide

C13H18N2O — CID 39568678

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-11(16)14-7-9-15-8-6-12-4-2-3-5-13(12)10-15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKeyYWUPPDINAABCMR-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.18
Rot. Bonds3

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide (PubChem CID 39568678) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
PubChem CID39568678
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-11(16)14-7-9-15-8-6-12-4-2-3-5-13(12)10-15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKeyYWUPPDINAABCMR-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methylbutanamide
CID 120502990
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111536531
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(methylamino)butanamide
CID 119850084
N-(2-acetamidoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525634
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-phenylmethoxypropanamide
CID 47028899
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 78851426
(2S)-2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methylpentanamide;dihydrochloride
CID 119850141
methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 10955041
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide;dihydrochloride
CID 119946558
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850099
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(R)-methylsulfinyl]benzamide
CID 37495319

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide (CID 39568678) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide is CC(=O)NCCN1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide?
The InChIKey is YWUPPDINAABCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)14-7-9-15-8-6-12-4-2-3-5-13(12)10-15/h2-5H,6-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide has a molecular weight of 218.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 39568678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).