N-[6-(hydroxyamino)-6-oxohexyl]octanamide

C14H28N2O3 — CID 155292893

IUPACN-[6-(hydroxyamino)-6-oxohexyl]octanamide
SMILESCCCCCCCC(=O)NCCCCCC(=O)NO
InChIInChI=1S/C14H28N2O3/c1-2-3-4-5-7-10-13(17)15-12-9-6-8-11-14(18)16-19/h19H,2-12H2,1H3,(H,15,17)(H,16,18)
InChIKeyLYTQKASSDYJLCG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.53
Rot. Bonds12

About N-[6-(hydroxyamino)-6-oxohexyl]octanamide

N-[6-(hydroxyamino)-6-oxohexyl]octanamide (PubChem CID 155292893) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexyl]octanamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexyl]octanamide
PubChem CID155292893
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[6-(hydroxyamino)-6-oxohexyl]octanamide
SMILESCCCCCCCC(=O)NCCCCCC(=O)NO
InChIInChI=1S/C14H28N2O3/c1-2-3-4-5-7-10-13(17)15-12-9-6-8-11-14(18)16-19/h19H,2-12H2,1H3,(H,15,17)(H,16,18)
InChIKeyLYTQKASSDYJLCG-UHFFFAOYSA-N
XLogP2.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
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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Related Compounds

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]octanamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]octanamide (CID 155292893) is N-[6-(hydroxyamino)-6-oxohexyl]octanamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexyl]octanamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexyl]octanamide is CCCCCCCC(=O)NCCCCCC(=O)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexyl]octanamide?
The InChIKey is LYTQKASSDYJLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-2-3-4-5-7-10-13(17)15-12-9-6-8-11-14(18)16-19/h19H,2-12H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexyl]octanamide?
N-[6-(hydroxyamino)-6-oxohexyl]octanamide has a molecular weight of 272.39 g/mol, XLogP of 2.53, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexyl]octanamide is sourced from PubChem (CID 155292893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).