N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide

C30H24N2O5 — CID 3485908

IUPACN-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C)c(C)c4)cc2)C3=O)c1
InChIInChI=1S/C30H24N2O5/c1-18-7-10-25(15-19(18)2)36-23-11-8-22(9-12-23)32-29(34)27-14-13-26(17-28(27)30(32)35)37-24-6-4-5-21(16-24)31-20(3)33/h4-17H,1-3H3,(H,31,33)
InChIKeyDYYOWDBKPJQPKJ-UHFFFAOYSA-N
MW492.53 g/mol
LogP6.65
Rot. Bonds6

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

N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide (PubChem CID 3485908) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide
PubChem CID3485908
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC NameN-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C)c(C)c4)cc2)C3=O)c1
InChIInChI=1S/C30H24N2O5/c1-18-7-10-25(15-19(18)2)36-23-11-8-22(9-12-23)32-29(34)27-14-13-26(17-28(27)30(32)35)37-24-6-4-5-21(16-24)31-20(3)33/h4-17H,1-3H3,(H,31,33)
InChIKeyDYYOWDBKPJQPKJ-UHFFFAOYSA-N
XLogP6.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide (CID 3485908) is N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide is CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C)c(C)c4)cc2)C3=O)c1.
What is the InChIKey of N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide?
The InChIKey is DYYOWDBKPJQPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-18-7-10-25(15-19(18)2)36-23-11-8-22(9-12-23)32-29(34)27-14-13-26(17-28(27)30(32)35)37-24-6-4-5-21(16-24)31-20(3)33/h4-17H,1-3H3,(H,31,33).
What are the key properties of N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide?
N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide has a molecular weight of 492.53 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide is sourced from PubChem (CID 3485908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).