N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide

C17H16N2O3 — CID 20905905

IUPACN-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2Cc3ccccc3C2=O)c1
InChIInChI=1S/C17H16N2O3/c1-22-14-7-4-6-13(9-14)18-16(20)11-19-10-12-5-2-3-8-15(12)17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyXBCJQUGLDGPGPX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.29
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide

N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide (PubChem CID 20905905) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
PubChem CID20905905
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2Cc3ccccc3C2=O)c1
InChIInChI=1S/C17H16N2O3/c1-22-14-7-4-6-13(9-14)18-16(20)11-19-10-12-5-2-3-8-15(12)17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyXBCJQUGLDGPGPX-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)cyclopentyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 16674649
N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277871
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
methyl 3-chloro-2-fluoro-5-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]benzoate
CID 154794106
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108948151
[2-(3-methoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554588
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-methoxyphenyl)acetamide
CID 7952292
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-(5-amino-2-oxopiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 64978046

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide (CID 20905905) is N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide is COc1cccc(NC(=O)CN2Cc3ccccc3C2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The InChIKey is XBCJQUGLDGPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-14-7-4-6-13(9-14)18-16(20)11-19-10-12-5-2-3-8-15(12)17(19)21/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide is sourced from PubChem (CID 20905905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).