N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide

C24H25F3N2O5 — CID 16549692

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O
InChIInChI=1S/C24H25F3N2O5/c1-14(2)8-9-29-22(31)17-6-4-15(12-18(17)23(29)32)21(30)28-19-13-16(24(25,26)27)5-7-20(19)34-11-10-33-3/h4-7,12-14H,8-11H2,1-3H3,(H,28,30)
InChIKeyYBUOHHSXKFOIMG-UHFFFAOYSA-N
MW478.47 g/mol
LogP4.62
Rot. Bonds9

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 16549692) has the molecular formula C24H25F3N2O5 and a molecular weight of 478.47 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID16549692
Molecular FormulaC24H25F3N2O5
Molecular Weight478.47 g/mol
Exact Mass478.17
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O
InChIInChI=1S/C24H25F3N2O5/c1-14(2)8-9-29-22(31)17-6-4-15(12-18(17)23(29)32)21(30)28-19-13-16(24(25,26)27)5-7-20(19)34-11-10-33-3/h4-7,12-14H,8-11H2,1-3H3,(H,28,30)
InChIKeyYBUOHHSXKFOIMG-UHFFFAOYSA-N
XLogP4.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574118
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 4831951
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
2-(3-methoxypropyl)-1,3-dioxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]isoindole-5-carboxamide
CID 31527602
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
N-(4-hydroxy-2-methylphenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 17380462
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 112765286
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78778220
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 8801965
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55642775
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 16557483
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide (CID 16549692) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is YBUOHHSXKFOIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O5/c1-14(2)8-9-29-22(31)17-6-4-15(12-18(17)23(29)32)21(30)28-19-13-16(24(25,26)27)5-7-20(19)34-11-10-33-3/h4-7,12-14H,8-11H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 478.47 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 16549692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).