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

C14H18N2O2 — CID 4795068

IUPACN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H18N2O2/c1-10(15-11(2)17)14(18)16-8-7-12-5-3-4-6-13(12)9-16/h3-6,10H,7-9H2,1-2H3,(H,15,17)
InChIKeyWYJXBUYFDVDJIR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.10
Rot. Bonds2

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

N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 4795068) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide
PubChem CID4795068
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H18N2O2/c1-10(15-11(2)17)14(18)16-8-7-12-5-3-4-6-13(12)9-16/h3-6,10H,7-9H2,1-2H3,(H,15,17)
InChIKeyWYJXBUYFDVDJIR-UHFFFAOYSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide (CID 4795068) is N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide is CC(=O)NC(C)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is WYJXBUYFDVDJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(15-11(2)17)14(18)16-8-7-12-5-3-4-6-13(12)9-16/h3-6,10H,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide?
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 4795068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).