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

C17H22N2O4 — CID 57443408

IUPACN,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide
SMILESO=C(CC1=CCCN(CCCCc2ccccc2)C1=O)N(O)O
InChIInChI=1S/C17H22N2O4/c20-16(19(22)23)13-15-10-6-12-18(17(15)21)11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,10,22-23H,4-6,9,11-13H2
InChIKeyVUEJKXNBCUEPNC-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.17
Rot. Bonds7

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

N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide (PubChem CID 57443408) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide.

Molecular Properties

Compound NameN,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide
PubChem CID57443408
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide
SMILESO=C(CC1=CCCN(CCCCc2ccccc2)C1=O)N(O)O
InChIInChI=1S/C17H22N2O4/c20-16(19(22)23)13-15-10-6-12-18(17(15)21)11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,10,22-23H,4-6,9,11-13H2
InChIKeyVUEJKXNBCUEPNC-UHFFFAOYSA-N
XLogP2.17
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide?
The IUPAC name of N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide (CID 57443408) is N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide.
What is the SMILES notation for N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide?
The canonical SMILES for N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide is O=C(CC1=CCCN(CCCCc2ccccc2)C1=O)N(O)O.
What is the InChIKey of N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide?
The InChIKey is VUEJKXNBCUEPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-16(19(22)23)13-15-10-6-12-18(17(15)21)11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,10,22-23H,4-6,9,11-13H2.
What are the key properties of N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide?
N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-2-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]acetamide is sourced from PubChem (CID 57443408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).