N-[3-(hydroxyamino)-3-oxopropyl]hexanamide

C9H18N2O3 — CID 21307047

IUPACN-[3-(hydroxyamino)-3-oxopropyl]hexanamide
SMILESCCCCCC(=O)NCCC(=O)NO
InChIInChI=1S/C9H18N2O3/c1-2-3-4-5-8(12)10-7-6-9(13)11-14/h14H,2-7H2,1H3,(H,10,12)(H,11,13)
InChIKeyITQMVIZKFOJZLX-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.58
Rot. Bonds7

About N-[3-(hydroxyamino)-3-oxopropyl]hexanamide

N-[3-(hydroxyamino)-3-oxopropyl]hexanamide (PubChem CID 21307047) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-[3-(hydroxyamino)-3-oxopropyl]hexanamide.

Molecular Properties

Compound NameN-[3-(hydroxyamino)-3-oxopropyl]hexanamide
PubChem CID21307047
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-[3-(hydroxyamino)-3-oxopropyl]hexanamide
SMILESCCCCCC(=O)NCCC(=O)NO
InChIInChI=1S/C9H18N2O3/c1-2-3-4-5-8(12)10-7-6-9(13)11-14/h14H,2-7H2,1H3,(H,10,12)(H,11,13)
InChIKeyITQMVIZKFOJZLX-UHFFFAOYSA-N
XLogP0.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.58
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-[6-(hydroxyamino)-6-oxohexyl]octanamide
CID 155292893
N-hydroxytridecanamide
CID 14122613
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
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-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxyamino)-3-oxopropyl]hexanamide?
The IUPAC name of N-[3-(hydroxyamino)-3-oxopropyl]hexanamide (CID 21307047) is N-[3-(hydroxyamino)-3-oxopropyl]hexanamide.
What is the SMILES notation for N-[3-(hydroxyamino)-3-oxopropyl]hexanamide?
The canonical SMILES for N-[3-(hydroxyamino)-3-oxopropyl]hexanamide is CCCCCC(=O)NCCC(=O)NO.
What is the InChIKey of N-[3-(hydroxyamino)-3-oxopropyl]hexanamide?
The InChIKey is ITQMVIZKFOJZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-3-4-5-8(12)10-7-6-9(13)11-14/h14H,2-7H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-[3-(hydroxyamino)-3-oxopropyl]hexanamide?
N-[3-(hydroxyamino)-3-oxopropyl]hexanamide has a molecular weight of 202.25 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxyamino)-3-oxopropyl]hexanamide is sourced from PubChem (CID 21307047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).