5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide

C26H24N2O5 — CID 18173222

IUPAC5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide
SMILESO=C(NO)C(CCCN1C(=O)c2ccccc2C1=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24N2O5/c29-24(27-32)20(9-6-16-28-25(30)22-10-4-5-11-23(22)26(28)31)17-33-21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-5,7-8,10-15,20,32H,6,9,16-17H2,(H,27,29)
InChIKeyQYMKPTMAFMKKTC-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.93
Rot. Bonds9

About 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide

5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide (PubChem CID 18173222) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide
PubChem CID18173222
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide
SMILESO=C(NO)C(CCCN1C(=O)c2ccccc2C1=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24N2O5/c29-24(27-32)20(9-6-16-28-25(30)22-10-4-5-11-23(22)26(28)31)17-33-21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-5,7-8,10-15,20,32H,6,9,16-17H2,(H,27,29)
InChIKeyQYMKPTMAFMKKTC-UHFFFAOYSA-N
XLogP3.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.93
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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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide (CID 18173222) is 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide is O=C(NO)C(CCCN1C(=O)c2ccccc2C1=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide?
The InChIKey is QYMKPTMAFMKKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c29-24(27-32)20(9-6-16-28-25(30)22-10-4-5-11-23(22)26(28)31)17-33-21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-5,7-8,10-15,20,32H,6,9,16-17H2,(H,27,29).
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide?
5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide has a molecular weight of 444.49 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[(4-phenylphenoxy)methyl]pentanamide is sourced from PubChem (CID 18173222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).