N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide

C20H14N4O7 — CID 2878684

IUPACN-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide
SMILESCC(=O)NN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(NC(C)=O)C4=O)cc2C1=O
InChIInChI=1S/C20H14N4O7/c1-9(25)21-23-17(27)13-5-3-11(7-15(13)19(23)29)31-12-4-6-14-16(8-12)20(30)24(18(14)28)22-10(2)26/h3-8H,1-2H3,(H,21,25)(H,22,26)
InChIKeyANUDFMMJOPFCFJ-UHFFFAOYSA-N
MW422.35 g/mol
LogP0.77
Rot. Bonds4

About N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide

N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide (PubChem CID 2878684) has the molecular formula C20H14N4O7 and a molecular weight of 422.35 g/mol. Its IUPAC name is N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide
PubChem CID2878684
Molecular FormulaC20H14N4O7
Molecular Weight422.35 g/mol
Exact Mass422.09
IUPAC NameN-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide
SMILESCC(=O)NN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(NC(C)=O)C4=O)cc2C1=O
InChIInChI=1S/C20H14N4O7/c1-9(25)21-23-17(27)13-5-3-11(7-15(13)19(23)29)31-12-4-6-14-16(8-12)20(30)24(18(14)28)22-10(2)26/h3-8H,1-2H3,(H,21,25)(H,22,26)
InChIKeyANUDFMMJOPFCFJ-UHFFFAOYSA-N
XLogP0.77
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide?
The IUPAC name of N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide (CID 2878684) is N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide is CC(=O)NN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(NC(C)=O)C4=O)cc2C1=O.
What is the InChIKey of N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide?
The InChIKey is ANUDFMMJOPFCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O7/c1-9(25)21-23-17(27)13-5-3-11(7-15(13)19(23)29)31-12-4-6-14-16(8-12)20(30)24(18(14)28)22-10(2)26/h3-8H,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide?
N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide has a molecular weight of 422.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamido-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]acetamide is sourced from PubChem (CID 2878684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).