3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide

C18H25N3O4 — CID 91954795

IUPAC3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)COCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H25N3O4/c1-20(2)17(23)7-9-19-16(22)12-25-13-18(24)21-10-8-14-5-3-4-6-15(14)11-21/h3-6H,7-13H2,1-2H3,(H,19,22)
InChIKeyDWLANRWIDIGAPP-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.18
Rot. Bonds7

About 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide

3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 91954795) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide
PubChem CID91954795
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)COCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H25N3O4/c1-20(2)17(23)7-9-19-16(22)12-25-13-18(24)21-10-8-14-5-3-4-6-15(14)11-21/h3-6H,7-13H2,1-2H3,(H,19,22)
InChIKeyDWLANRWIDIGAPP-UHFFFAOYSA-N
XLogP0.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide with MolForge

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Related Compounds

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 51362040
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-[(4-phenyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 91948444
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(2-methoxyphenyl)propanamide
CID 110371050
2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 30957291
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]acetamide
CID 91957906
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(dimethylamino)ethylamino]propan-1-one
CID 109016367
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948070
2-(1-azabicyclo[2.2.1]heptan-4-ylmethoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 155397624
3-(tert-butylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 60851992

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide (CID 91954795) is 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)COCC(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is DWLANRWIDIGAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-20(2)17(23)7-9-19-16(22)12-25-13-18(24)21-10-8-14-5-3-4-6-15(14)11-21/h3-6H,7-13H2,1-2H3,(H,19,22).
What are the key properties of 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide?
3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 91954795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).