[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

C19H20N2O5 — CID 46791657

IUPAC[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESCC(OC(=O)CNC(=O)c1ccco1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H20N2O5/c1-13(26-17(22)11-20-18(23)16-7-4-10-25-16)19(24)21-9-8-14-5-2-3-6-15(14)12-21/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyJDPPBEUZPUSQPI-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.53
Rot. Bonds5

About [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (PubChem CID 46791657) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
PubChem CID46791657
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESCC(OC(=O)CNC(=O)c1ccco1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H20N2O5/c1-13(26-17(22)11-20-18(23)16-7-4-10-25-16)19(24)21-9-8-14-5-2-3-6-15(14)12-21/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyJDPPBEUZPUSQPI-UHFFFAOYSA-N
XLogP1.53
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate with MolForge

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Related Compounds

[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363839
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662636
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 7716856
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 7904588
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42970594
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 655966
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 1439849
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 55524955
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 8524877
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 8578775
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 41214888

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (CID 46791657) is [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is CC(OC(=O)CNC(=O)c1ccco1)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is JDPPBEUZPUSQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13(26-17(22)11-20-18(23)16-7-4-10-25-16)19(24)21-9-8-14-5-2-3-6-15(14)12-21/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 356.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 46791657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).