N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide

C25H23N3O4 — CID 18173159

IUPACN-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide
SMILESO=C(NO)C(CCn1ncc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O4/c29-24(27-31)21(14-15-28-25(30)23-9-5-4-8-20(23)16-26-28)17-32-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21,31H,14-15,17H2,(H,27,29)
InChIKeyYMFBAKCSKQKFMX-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.65
Rot. Bonds8

About N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide

N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide (PubChem CID 18173159) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide
PubChem CID18173159
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide
SMILESO=C(NO)C(CCn1ncc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O4/c29-24(27-31)21(14-15-28-25(30)23-9-5-4-8-20(23)16-26-28)17-32-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21,31H,14-15,17H2,(H,27,29)
InChIKeyYMFBAKCSKQKFMX-UHFFFAOYSA-N
XLogP3.65
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide?
The IUPAC name of N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide (CID 18173159) is N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide.
What is the SMILES notation for N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide?
The canonical SMILES for N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide is O=C(NO)C(CCn1ncc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide?
The InChIKey is YMFBAKCSKQKFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c29-24(27-31)21(14-15-28-25(30)23-9-5-4-8-20(23)16-26-28)17-32-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21,31H,14-15,17H2,(H,27,29).
What are the key properties of N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide?
N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide has a molecular weight of 429.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanamide is sourced from PubChem (CID 18173159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).