ethane;N-hydroxyheptanamide;molecular hydrogen

C9H23NO2 — CID 143457866

IUPACethane;N-hydroxyheptanamide;molecular hydrogen
SMILESCC.CCCCCCC(=O)NO.[H][H]
InChIInChI=1S/C7H15NO2.C2H6.H2/c1-2-3-4-5-6-7(9)8-10;1-2;/h10H,2-6H2,1H3,(H,8,9);1-2H3;1H
InChIKeyYYKJNSZTQAMMBX-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.73
Rot. Bonds5

About ethane;N-hydroxyheptanamide;molecular hydrogen

ethane;N-hydroxyheptanamide;molecular hydrogen (PubChem CID 143457866) has the molecular formula C9H23NO2 and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;N-hydroxyheptanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-hydroxyheptanamide;molecular hydrogen
PubChem CID143457866
Molecular FormulaC9H23NO2
Molecular Weight177.29 g/mol
Exact Mass177.17
IUPAC Nameethane;N-hydroxyheptanamide;molecular hydrogen
SMILESCC.CCCCCCC(=O)NO.[H][H]
InChIInChI=1S/C7H15NO2.C2H6.H2/c1-2-3-4-5-6-7(9)8-10;1-2;/h10H,2-6H2,1H3,(H,8,9);1-2H3;1H
InChIKeyYYKJNSZTQAMMBX-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hydroxytridecanamide
CID 14122613
N-[6-(hydroxyamino)-6-oxohexyl]octanamide
CID 155292893
4-(dioctylamino)-N-hydroxybutanamide
CID 166798471
N,10-dihydroxyoctadecanamide
CID 146268733
N-[3-(hydroxyamino)-3-oxopropyl]hexanamide
CID 21307047
ethane;molecular hydrogen;N-pentyltridecanamide
CID 142045594
ethane;N-methyltetradecanamide
CID 153349961
ethane;N'-hydroxyoctanediamide
CID 144754010
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxyheptanamide;molecular hydrogen?
The IUPAC name of ethane;N-hydroxyheptanamide;molecular hydrogen (CID 143457866) is ethane;N-hydroxyheptanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-hydroxyheptanamide;molecular hydrogen?
The canonical SMILES for ethane;N-hydroxyheptanamide;molecular hydrogen is CC.CCCCCCC(=O)NO.[H][H].
What is the InChIKey of ethane;N-hydroxyheptanamide;molecular hydrogen?
The InChIKey is YYKJNSZTQAMMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6.H2/c1-2-3-4-5-6-7(9)8-10;1-2;/h10H,2-6H2,1H3,(H,8,9);1-2H3;1H.
What are the key properties of ethane;N-hydroxyheptanamide;molecular hydrogen?
ethane;N-hydroxyheptanamide;molecular hydrogen has a molecular weight of 177.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxyheptanamide;molecular hydrogen is sourced from PubChem (CID 143457866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).