N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide

C20H20N2O3 — CID 99837780

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2ccc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-21(13-15-7-9-17(25-2)10-8-15)19(23)14-22-12-11-16-5-3-4-6-18(16)20(22)24/h3-12H,13-14H2,1-2H3
InChIKeyHZBXKBGGRVHUPB-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.67
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 99837780) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID99837780
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2ccc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-21(13-15-7-9-17(25-2)10-8-15)19(23)14-22-12-11-16-5-3-4-6-18(16)20(22)24/h3-12H,13-14H2,1-2H3
InChIKeyHZBXKBGGRVHUPB-UHFFFAOYSA-N
XLogP2.67
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155126
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800999
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide
CID 84572212
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 112779738
N-benzyl-N-methyl-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100742012
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 9417568

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide (CID 99837780) is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide is COc1ccc(CN(C)C(=O)Cn2ccc3ccccc3c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is HZBXKBGGRVHUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-21(13-15-7-9-17(25-2)10-8-15)19(23)14-22-12-11-16-5-3-4-6-18(16)20(22)24/h3-12H,13-14H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 99837780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).