ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate

C15H37NO3V — CID 142045779

IUPACethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate
SMILESCC.CCCCCNC(=O)CCCCCCCO.O.[H][H].[V]
InChIInChI=1S/C13H27NO2.C2H6.H2O.V.H2/c1-2-3-8-11-14-13(16)10-7-5-4-6-9-12-15;1-2;;;/h15H,2-12H2,1H3,(H,14,16);1-2H3;1H2;;1H
InChIKeySHBZCMBPRNDRPG-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.07
Rot. Bonds11

About ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate

ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate (PubChem CID 142045779) has the molecular formula C15H37NO3V and a molecular weight of 330.41 g/mol. Its IUPAC name is ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate.

Molecular Properties

Compound Nameethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate
PubChem CID142045779
Molecular FormulaC15H37NO3V
Molecular Weight330.41 g/mol
Exact Mass330.22
IUPAC Nameethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate
SMILESCC.CCCCCNC(=O)CCCCCCCO.O.[H][H].[V]
InChIInChI=1S/C13H27NO2.C2H6.H2O.V.H2/c1-2-3-8-11-14-13(16)10-7-5-4-6-9-12-15;1-2;;;/h15H,2-12H2,1H3,(H,14,16);1-2H3;1H2;;1H
InChIKeySHBZCMBPRNDRPG-UHFFFAOYSA-N
XLogP3.07
TPSA80.83 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
ethane;molecular hydrogen;N-pentyltridecanamide
CID 142045594
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
N-heptadecyl-4-hydroxybutanamide
CID 100934326
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-(3-hydroxypropyl)docosanamide
CID 87200048
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate?
The IUPAC name of ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate (CID 142045779) is ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate.
What is the SMILES notation for ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate?
The canonical SMILES for ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate is CC.CCCCCNC(=O)CCCCCCCO.O.[H][H].[V].
What is the InChIKey of ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate?
The InChIKey is SHBZCMBPRNDRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C2H6.H2O.V.H2/c1-2-3-8-11-14-13(16)10-7-5-4-6-9-12-15;1-2;;;/h15H,2-12H2,1H3,(H,14,16);1-2H3;1H2;;1H.
What are the key properties of ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate?
ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate has a molecular weight of 330.41 g/mol, XLogP of 3.07, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate is sourced from PubChem (CID 142045779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).