N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

C26H24N2O6 — CID 4530611

IUPACN-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(OC)cc4)cc3)cc2C1=O
InChIInChI=1S/C26H24N2O6/c1-32-15-3-14-28-25(30)22-13-4-17(16-23(22)26(28)31)24(29)27-18-5-7-20(8-6-18)34-21-11-9-19(33-2)10-12-21/h4-13,16H,3,14-15H2,1-2H3,(H,27,29)
InChIKeyUGQMJPPPJLVBGQ-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.37
Rot. Bonds9

About N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 4530611) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID4530611
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC NameN-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(OC)cc4)cc3)cc2C1=O
InChIInChI=1S/C26H24N2O6/c1-32-15-3-14-28-25(30)22-13-4-17(16-23(22)26(28)31)24(29)27-18-5-7-20(8-6-18)34-21-11-9-19(33-2)10-12-21/h4-13,16H,3,14-15H2,1-2H3,(H,27,29)
InChIKeyUGQMJPPPJLVBGQ-UHFFFAOYSA-N
XLogP4.37
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (CID 4530611) is N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(OC)cc4)cc3)cc2C1=O.
What is the InChIKey of N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is UGQMJPPPJLVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-32-15-3-14-28-25(30)22-13-4-17(16-23(22)26(28)31)24(29)27-18-5-7-20(8-6-18)34-21-11-9-19(33-2)10-12-21/h4-13,16H,3,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 4530611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).