N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide

C26H24N2O4 — CID 130284062

IUPACN-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)cc1
InChIInChI=1S/C26H24N2O4/c1-4-26(2,3)17-6-10-19(11-7-17)32-20-12-8-18(9-13-20)27-23(29)16-5-14-21-22(15-16)25(31)28-24(21)30/h5-15H,4H2,1-3H3,(H,27,29)(H,28,30,31)
InChIKeyAYFQBTRPSTWQFT-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.30
Rot. Bonds6

About N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide

N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 130284062) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID130284062
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)cc1
InChIInChI=1S/C26H24N2O4/c1-4-26(2,3)17-6-10-19(11-7-17)32-20-12-8-18(9-13-20)27-23(29)16-5-14-21-22(15-16)25(31)28-24(21)30/h5-15H,4H2,1-3H3,(H,27,29)(H,28,30,31)
InChIKeyAYFQBTRPSTWQFT-UHFFFAOYSA-N
XLogP5.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dioxoisoindol-5-yl)-4-(4-nitrophenoxy)benzamide
CID 17172058
[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
CID 129255825
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 164728727
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
5-bromo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]furan-2-carboxamide
CID 2435744
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen
CID 169211220
4-tert-butyl-N-[4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]carbamoyl]phenyl]benzamide
CID 17093395
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-(4-ethenylphenyl)-4-(2-methylbutan-2-yl)benzamide
CID 59270019
2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide
CID 4868535

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 130284062) is N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide is CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is AYFQBTRPSTWQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-4-26(2,3)17-6-10-19(11-7-17)32-20-12-8-18(9-13-20)27-23(29)16-5-14-21-22(15-16)25(31)28-24(21)30/h5-15H,4H2,1-3H3,(H,27,29)(H,28,30,31).
What are the key properties of N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide?
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 130284062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).