2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide

C17H16N2O3 — CID 86872676

IUPAC2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3)c1
InChIInChI=1S/C17H16N2O3/c1-11-3-2-4-14(7-11)22-10-16(20)19-13-6-5-12-9-18-17(21)15(12)8-13/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeySZQHLXIHJIMQEC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.26
Rot. Bonds4

About 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide

2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide (PubChem CID 86872676) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide
PubChem CID86872676
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3)c1
InChIInChI=1S/C17H16N2O3/c1-11-3-2-4-14(7-11)22-10-16(20)19-13-6-5-12-9-18-17(21)15(12)8-13/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeySZQHLXIHJIMQEC-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-2-(3-methylphenoxy)acetamide
CID 110668350
methyl 7-[[2-(3-methylphenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034795
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide
CID 110721809
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(3-methylphenoxy)acetamide
CID 110667031
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
N-(4-bromo-3-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154742
methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 38236114

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide (CID 86872676) is 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide?
The InChIKey is SZQHLXIHJIMQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-3-2-4-14(7-11)22-10-16(20)19-13-6-5-12-9-18-17(21)15(12)8-13/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide?
2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide is sourced from PubChem (CID 86872676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).