N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide

C17H14N2O4 — CID 656043

IUPACN-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide
SMILESCOc1ccc(N2C(=O)c3ccc(NC(C)=O)cc3C2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-10(20)18-11-3-8-14-15(9-11)17(22)19(16(14)21)12-4-6-13(23-2)7-5-12/h3-9H,1-2H3,(H,18,20)
InChIKeyNKAPTSJWRDHAHI-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide

N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide (PubChem CID 656043) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide
PubChem CID656043
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide
SMILESCOc1ccc(N2C(=O)c3ccc(NC(C)=O)cc3C2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-10(20)18-11-3-8-14-15(9-11)17(22)19(16(14)21)12-4-6-13(23-2)7-5-12/h3-9H,1-2H3,(H,18,20)
InChIKeyNKAPTSJWRDHAHI-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide (CID 656043) is N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide is COc1ccc(N2C(=O)c3ccc(NC(C)=O)cc3C2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide?
The InChIKey is NKAPTSJWRDHAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10(20)18-11-3-8-14-15(9-11)17(22)19(16(14)21)12-4-6-13(23-2)7-5-12/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide?
N-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]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-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]acetamide is sourced from PubChem (CID 656043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).