2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide

C16H18N2O2 — CID 2441185

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCc1ccco1
InChIInChI=1S/C16H18N2O2/c19-16(17-10-15-6-3-9-20-15)12-18-8-7-13-4-1-2-5-14(13)11-18/h1-6,9H,7-8,10-12H2,(H,17,19)
InChIKeyXYDSBUPLUHLQOC-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.95
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 2441185) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID2441185
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCc1ccco1
InChIInChI=1S/C16H18N2O2/c19-16(17-10-15-6-3-9-20-15)12-18-8-7-13-4-1-2-5-14(13)11-18/h1-6,9H,7-8,10-12H2,(H,17,19)
InChIKeyXYDSBUPLUHLQOC-UHFFFAOYSA-N
XLogP1.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide (CID 2441185) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCc2ccccc2C1)NCc1ccco1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XYDSBUPLUHLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(17-10-15-6-3-9-20-15)12-18-8-7-13-4-1-2-5-14(13)11-18/h1-6,9H,7-8,10-12H2,(H,17,19).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 270.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2441185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).