N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

C26H24N2O4 — CID 26777955

IUPACN-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C26H24N2O4/c1-32-23-10-6-5-9-19(23)13-15-27-24(29)20-11-12-21-22(17-20)26(31)28(25(21)30)16-14-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,29)
InChIKeyVMPPPEUSGOFUQH-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.51
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (PubChem CID 26777955) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
PubChem CID26777955
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C26H24N2O4/c1-32-23-10-6-5-9-19(23)13-15-27-24(29)20-11-12-21-22(17-20)26(31)28(25(21)30)16-14-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,29)
InChIKeyVMPPPEUSGOFUQH-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 27756862
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995
2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 38451540
N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26442861
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(cyclohexanecarbonylamino)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55805700
N-[2-(4-fluorophenyl)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9210461
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26826321
2-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 45494964
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (CID 26777955) is N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is COc1ccccc1CCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The InChIKey is VMPPPEUSGOFUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-32-23-10-6-5-9-19(23)13-15-27-24(29)20-11-12-21-22(17-20)26(31)28(25(21)30)16-14-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,29).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 26777955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).