N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide

C19H18N2O2 — CID 9354354

IUPACN-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C19H18N2O2/c1-13-6-5-7-14(2)18(13)20-17(22)12-21-11-10-15-8-3-4-9-16(15)19(21)23/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyCEROESSADGDSSU-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.26
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide

N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 9354354) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID9354354
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C19H18N2O2/c1-13-6-5-7-14(2)18(13)20-17(22)12-21-11-10-15-8-3-4-9-16(15)19(21)23/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyCEROESSADGDSSU-UHFFFAOYSA-N
XLogP3.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
CID 43376298
N-(4-tert-butylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 2095659
N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354432
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354346
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-oxofuro[3,2-c]pyridin-5-yl)acetamide
CID 126770468
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242865
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-pyridin-1-ium-2-ylacetamide
CID 4164274
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354365
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide (CID 9354354) is N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide is Cc1cccc(C)c1NC(=O)Cn1ccc2ccccc2c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is CEROESSADGDSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-6-5-7-14(2)18(13)20-17(22)12-21-11-10-15-8-3-4-9-16(15)19(21)23/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 9354354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).