2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide

C17H14N2O4 — CID 71935665

IUPAC2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14N2O4/c18-15(20)10-23-12-5-3-4-11(8-12)9-19-16(21)13-6-1-2-7-14(13)17(19)22/h1-8H,9-10H2,(H2,18,20)
InChIKeyFAQULYLVBXORSG-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.35
Rot. Bonds5

About 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide

2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide (PubChem CID 71935665) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide
PubChem CID71935665
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14N2O4/c18-15(20)10-23-12-5-3-4-11(8-12)9-19-16(21)13-6-1-2-7-14(13)17(19)22/h1-8H,9-10H2,(H2,18,20)
InChIKeyFAQULYLVBXORSG-UHFFFAOYSA-N
XLogP1.35
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
CID 22985467
2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid
CID 17342168
3-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]propanoic acid
CID 18790661
N-[2-(3-bromophenoxy)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55919971
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 7563108
2-[3-[3-(chloromethyl)phenoxy]propyl]isoindole-1,3-dione
CID 13452204
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
[2-(dimethylamino)-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 2114986
2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide
CID 75526427
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188381
2-[[3-[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]hydrazinyl]phenyl]methyl]isoindole-1,3-dione
CID 167064144
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 7550596

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide (CID 71935665) is 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide is NC(=O)COc1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide?
The InChIKey is FAQULYLVBXORSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c18-15(20)10-23-12-5-3-4-11(8-12)9-19-16(21)13-6-1-2-7-14(13)17(19)22/h1-8H,9-10H2,(H2,18,20).
What are the key properties of 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide?
2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide is sourced from PubChem (CID 71935665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).