N-(2-acetylhexyl)-N-hydroxyformamide

C9H17NO3 — CID 142881718

IUPACN-(2-acetylhexyl)-N-hydroxyformamide
SMILESCCCCC(CN(O)C=O)C(C)=O
InChIInChI=1S/C9H17NO3/c1-3-4-5-9(8(2)12)6-10(13)7-11/h7,9,13H,3-6H2,1-2H3
InChIKeyOOBOEYQOPURIBU-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.23
Rot. Bonds7

About N-(2-acetylhexyl)-N-hydroxyformamide

N-(2-acetylhexyl)-N-hydroxyformamide (PubChem CID 142881718) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(2-acetylhexyl)-N-hydroxyformamide.

Molecular Properties

Compound NameN-(2-acetylhexyl)-N-hydroxyformamide
PubChem CID142881718
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(2-acetylhexyl)-N-hydroxyformamide
SMILESCCCCC(CN(O)C=O)C(C)=O
InChIInChI=1S/C9H17NO3/c1-3-4-5-9(8(2)12)6-10(13)7-11/h7,9,13H,3-6H2,1-2H3
InChIKeyOOBOEYQOPURIBU-UHFFFAOYSA-N
XLogP1.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 22096280
N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59902226
N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 87264686
3-butylundecan-2-one
CID 10922232
(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 122408081
N-[(2R)-2-[(2S)-2-formyl-2,5-dihydropyrrole-1-carbonyl]hexyl]-N-hydroxyformamide
CID 138641122
N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide
CID 138641157
N-[2-(6-formyl-5-azaspiro[2.4]heptane-5-carbonyl)hexyl]-N-hydroxyformamide
CID 145399161
2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide
CID 142881700
N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 20752901
3-butyl-6-hydroxyhept-6-en-2-one
CID 142382833
2-butylhexanoic acid;N,N-dimethylformamide
CID 19350390

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylhexyl)-N-hydroxyformamide?
The IUPAC name of N-(2-acetylhexyl)-N-hydroxyformamide (CID 142881718) is N-(2-acetylhexyl)-N-hydroxyformamide.
What is the SMILES notation for N-(2-acetylhexyl)-N-hydroxyformamide?
The canonical SMILES for N-(2-acetylhexyl)-N-hydroxyformamide is CCCCC(CN(O)C=O)C(C)=O.
What is the InChIKey of N-(2-acetylhexyl)-N-hydroxyformamide?
The InChIKey is OOBOEYQOPURIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-5-9(8(2)12)6-10(13)7-11/h7,9,13H,3-6H2,1-2H3.
What are the key properties of N-(2-acetylhexyl)-N-hydroxyformamide?
N-(2-acetylhexyl)-N-hydroxyformamide has a molecular weight of 187.24 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylhexyl)-N-hydroxyformamide is sourced from PubChem (CID 142881718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).