N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide

C17H14N2O4 — CID 10335547

IUPACN-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14N2O4/c1-10(20)18-14-8-7-11(23-2)9-15(14)19-16(21)12-5-3-4-6-13(12)17(19)22/h3-9H,1-2H3,(H,18,20)
InChIKeyJBQRPTHQFPPMFA-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide

N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide (PubChem CID 10335547) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
PubChem CID10335547
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14N2O4/c1-10(20)18-14-8-7-11(23-2)9-15(14)19-16(21)12-5-3-4-6-13(12)17(19)22/h3-9H,1-2H3,(H,18,20)
InChIKeyJBQRPTHQFPPMFA-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.45
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

N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
CID 168516635
N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide
CID 168516679
2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione
CID 177450628
2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione
CID 21037106
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide
CID 18174557
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide
CID 168516887
2-(1,3-dioxoisoindol-2-yl)-4-(4-methoxyphenyl)benzoic acid
CID 168518194
2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione
CID 619974
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
CID 168519707
2-(3-acetamidonaphthalen-2-yl)-1,3-dioxoisoindole-5-carboxylate
CID 4063318

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide (CID 10335547) is N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)c(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide?
The InChIKey is JBQRPTHQFPPMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10(20)18-14-8-7-11(23-2)9-15(14)19-16(21)12-5-3-4-6-13(12)17(19)22/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide?
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide has a molecular weight of 310.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 10335547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).