N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide

C19H26N2O3 — CID 16720547

IUPACN-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide
SMILESO=C(CCCC1=CCCN(CCCCc2ccccc2)C1=O)NO
InChIInChI=1S/C19H26N2O3/c22-18(20-24)13-6-11-17-12-7-15-21(19(17)23)14-5-4-10-16-8-2-1-3-9-16/h1-3,8-9,12,24H,4-7,10-11,13-15H2,(H,20,22)
InChIKeyUQKRAXCCEMEHQM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.84
Rot. Bonds9

About N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide

N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide (PubChem CID 16720547) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide
PubChem CID16720547
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide
SMILESO=C(CCCC1=CCCN(CCCCc2ccccc2)C1=O)NO
InChIInChI=1S/C19H26N2O3/c22-18(20-24)13-6-11-17-12-7-15-21(19(17)23)14-5-4-10-16-8-2-1-3-9-16/h1-3,8-9,12,24H,4-7,10-11,13-15H2,(H,20,22)
InChIKeyUQKRAXCCEMEHQM-UHFFFAOYSA-N
XLogP2.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide?
The IUPAC name of N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide (CID 16720547) is N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide.
What is the SMILES notation for N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide?
The canonical SMILES for N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide is O=C(CCCC1=CCCN(CCCCc2ccccc2)C1=O)NO.
What is the InChIKey of N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide?
The InChIKey is UQKRAXCCEMEHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(20-24)13-6-11-17-12-7-15-21(19(17)23)14-5-4-10-16-8-2-1-3-9-16/h1-3,8-9,12,24H,4-7,10-11,13-15H2,(H,20,22).
What are the key properties of N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide?
N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide has a molecular weight of 330.43 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide is sourced from PubChem (CID 16720547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).