2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide

C15H23N3O2 — CID 114524084

IUPAC2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCc2cccc(N)c2C1
InChIInChI=1S/C15H23N3O2/c1-11(15(19)17-7-9-20-2)18-8-6-12-4-3-5-14(16)13(12)10-18/h3-5,11H,6-10,16H2,1-2H3,(H,17,19)
InChIKeyAVBWKDIYNKHYJI-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.78
Rot. Bonds5

About 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide

2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 114524084) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
PubChem CID114524084
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCc2cccc(N)c2C1
InChIInChI=1S/C15H23N3O2/c1-11(15(19)17-7-9-20-2)18-8-6-12-4-3-5-14(16)13(12)10-18/h3-5,11H,6-10,16H2,1-2H3,(H,17,19)
InChIKeyAVBWKDIYNKHYJI-UHFFFAOYSA-N
XLogP0.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114524003
8-amino-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 114816263
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylpropanamide
CID 61015189
2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522186
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 56787711
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9248409
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
CID 97193156
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpropanamide
CID 61013701
N-(2-amino-2-methylpropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 119628097
2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522154

Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide (CID 114524084) is 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N1CCc2cccc(N)c2C1.
What is the InChIKey of 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is AVBWKDIYNKHYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(15(19)17-7-9-20-2)18-8-6-12-4-3-5-14(16)13(12)10-18/h3-5,11H,6-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide?
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114524084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).