N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide

C20H25NO2 — CID 22986819

IUPACN-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide
SMILESO=C(CCCc1ccc(CCCCc2ccccc2)cc1)NO
InChIInChI=1S/C20H25NO2/c22-20(21-23)12-6-11-19-15-13-18(14-16-19)10-5-4-9-17-7-2-1-3-8-17/h1-3,7-8,13-16,23H,4-6,9-12H2,(H,21,22)
InChIKeyFPHFSSOTOCNYGI-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.08
Rot. Bonds9

About N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide

N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide (PubChem CID 22986819) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide
PubChem CID22986819
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide
SMILESO=C(CCCc1ccc(CCCCc2ccccc2)cc1)NO
InChIInChI=1S/C20H25NO2/c22-20(21-23)12-6-11-19-15-13-18(14-16-19)10-5-4-9-17-7-2-1-3-8-17/h1-3,7-8,13-16,23H,4-6,9-12H2,(H,21,22)
InChIKeyFPHFSSOTOCNYGI-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-(4-phenylbutyl)phenyl]butanamide?
The IUPAC name of N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide (CID 22986819) is N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide.
What is the SMILES notation for N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide?
The canonical SMILES for N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide is O=C(CCCc1ccc(CCCCc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide?
The InChIKey is FPHFSSOTOCNYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-20(21-23)12-6-11-19-15-13-18(14-16-19)10-5-4-9-17-7-2-1-3-8-17/h1-3,7-8,13-16,23H,4-6,9-12H2,(H,21,22).
What are the key properties of N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide?
N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(4-phenylbutyl)phenyl]butanamide is sourced from PubChem (CID 22986819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).