N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

C25H21N3O4 — CID 27648770

IUPACN-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1
InChIInChI=1S/C25H21N3O4/c1-16(29)26-19-8-10-20(11-9-19)27-23(30)18-7-12-21-22(15-18)25(32)28(24(21)31)14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyLPPZNPHHSZDWAX-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.74
Rot. Bonds6

About N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (PubChem CID 27648770) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
PubChem CID27648770
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1
InChIInChI=1S/C25H21N3O4/c1-16(29)26-19-8-10-20(11-9-19)27-23(30)18-7-12-21-22(15-18)25(32)28(24(21)31)14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyLPPZNPHHSZDWAX-UHFFFAOYSA-N
XLogP3.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 34033080
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55905919
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(3-methyl-2-pyridinyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 35032203
2-oxopropyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 2484796
N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26442861
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995
propan-2-yl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 27000100
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 35385832
1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108769722
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 17171794

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (CID 27648770) is N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The InChIKey is LPPZNPHHSZDWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-16(29)26-19-8-10-20(11-9-19)27-23(30)18-7-12-21-22(15-18)25(32)28(24(21)31)14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 27648770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).