4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide

C25H22N2O5 — CID 15435266

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide
SMILESO=C(NO)C(CCN1C(=O)c2ccccc2C1=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c28-23(26-31)19(14-15-27-24(29)21-8-4-5-9-22(21)25(27)30)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,28)
InChIKeyVVZTYGQJDUUATC-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.54
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide (PubChem CID 15435266) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide
PubChem CID15435266
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide
SMILESO=C(NO)C(CCN1C(=O)c2ccccc2C1=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c28-23(26-31)19(14-15-27-24(29)21-8-4-5-9-22(21)25(27)30)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,28)
InChIKeyVVZTYGQJDUUATC-UHFFFAOYSA-N
XLogP3.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl)-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid
CID 448384
2-(3-Phenoxypropyl)isoindoline-1,3-dione
CID 249759
N-hydroxy-2-[(4-phenylphenoxy)methyl]-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanamide
CID 9934240
2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1-oxo-1H-phthalazin-2-yl)-butyramide
CID 18173159
2-(Biphenyl-4-yloxymethyl)-5-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid hydroxyamide
CID 18173222
4-(1,3-dioxo-2-isoindolyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 1293729
6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]hexanamide
CID 1565837
2-{3-[3-(Naphthalen-1-yloxy)-propylamino]-propyl}-isoindole-1,3-dione
CID 44300425
2-{4-[3-(Naphthalen-1-yloxy)-propylamino]-butyl}-isoindole-1,3-dione
CID 44300742
2-[10-[4-(Trifluoromethyl)phenoxy]decyl]isoindole-1,3-dione
CID 49864019
2-[2-(4-Methoxybenzoyl)benzyl]-1h-isoindole-1,3(2h)-dione
CID 270772
2-[3-(2-furyl)-3-phenylpropyl]-1H-isoindole-1,3(2H)-dione
CID 2950586

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide (CID 15435266) is 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide is O=C(NO)C(CCN1C(=O)c2ccccc2C1=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide?
The InChIKey is VVZTYGQJDUUATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c28-23(26-31)19(14-15-27-24(29)21-8-4-5-9-22(21)25(27)30)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,28).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide has a molecular weight of 430.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]butanamide is sourced from PubChem (CID 15435266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).