N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide

C19H20N2O3 — CID 2576233

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-8-6-15(7-9-17)19(23)20-12-18(22)21-11-10-14-4-2-3-5-16(14)13-21/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyKINHXLTVCLTLTN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.01
Rot. Bonds4

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

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 2576233) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide
PubChem CID2576233
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-8-6-15(7-9-17)19(23)20-12-18(22)21-11-10-14-4-2-3-5-16(14)13-21/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyKINHXLTVCLTLTN-UHFFFAOYSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide (CID 2576233) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is KINHXLTVCLTLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-8-6-15(7-9-17)19(23)20-12-18(22)21-11-10-14-4-2-3-5-16(14)13-21/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 2576233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).