methanol;18-oxo-N-(8-oxononyl)octadecanamide

C28H55NO4 — CID 144779859

IUPACmethanol;18-oxo-N-(8-oxononyl)octadecanamide
SMILESCC(=O)CCCCCCCNC(=O)CCCCCCCCCCCCCCCCC=O.CO
InChIInChI=1S/C27H51NO3.CH4O/c1-26(30)22-18-14-13-16-20-24-28-27(31)23-19-15-11-9-7-5-3-2-4-6-8-10-12-17-21-25-29;1-2/h25H,2-24H2,1H3,(H,28,31);2H,1H3
InChIKeyVKJMIWPHOGQFRZ-UHFFFAOYSA-N
MW469.75 g/mol
LogP7.08
Rot. Bonds25

About methanol;18-oxo-N-(8-oxononyl)octadecanamide

methanol;18-oxo-N-(8-oxononyl)octadecanamide (PubChem CID 144779859) has the molecular formula C28H55NO4 and a molecular weight of 469.75 g/mol. Its IUPAC name is methanol;18-oxo-N-(8-oxononyl)octadecanamide.

Molecular Properties

Compound Namemethanol;18-oxo-N-(8-oxononyl)octadecanamide
PubChem CID144779859
Molecular FormulaC28H55NO4
Molecular Weight469.75 g/mol
Exact Mass469.41
IUPAC Namemethanol;18-oxo-N-(8-oxononyl)octadecanamide
SMILESCC(=O)CCCCCCCNC(=O)CCCCCCCCCCCCCCCCC=O.CO
InChIInChI=1S/C27H51NO3.CH4O/c1-26(30)22-18-14-13-16-20-24-28-27(31)23-19-15-11-9-7-5-3-2-4-6-8-10-12-17-21-25-29;1-2/h25H,2-24H2,1H3,(H,28,31);2H,1H3
InChIKeyVKJMIWPHOGQFRZ-UHFFFAOYSA-N
XLogP7.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.75
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

14-oxo-N-pentadecyltetradecanamide
CID 90756507
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
6-oxo-N-pentylhexanamide
CID 90124095
6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550
N-(9-aminononyl)-9-oxononanamide
CID 174335255
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
N-(10-oxoundecyl)dodecanamide
CID 171771299
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892

Frequently Asked Questions

What is the IUPAC name of methanol;18-oxo-N-(8-oxononyl)octadecanamide?
The IUPAC name of methanol;18-oxo-N-(8-oxononyl)octadecanamide (CID 144779859) is methanol;18-oxo-N-(8-oxononyl)octadecanamide.
What is the SMILES notation for methanol;18-oxo-N-(8-oxononyl)octadecanamide?
The canonical SMILES for methanol;18-oxo-N-(8-oxononyl)octadecanamide is CC(=O)CCCCCCCNC(=O)CCCCCCCCCCCCCCCCC=O.CO.
What is the InChIKey of methanol;18-oxo-N-(8-oxononyl)octadecanamide?
The InChIKey is VKJMIWPHOGQFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO3.CH4O/c1-26(30)22-18-14-13-16-20-24-28-27(31)23-19-15-11-9-7-5-3-2-4-6-8-10-12-17-21-25-29;1-2/h25H,2-24H2,1H3,(H,28,31);2H,1H3.
What are the key properties of methanol;18-oxo-N-(8-oxononyl)octadecanamide?
methanol;18-oxo-N-(8-oxononyl)octadecanamide has a molecular weight of 469.75 g/mol, XLogP of 7.08, 25 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;18-oxo-N-(8-oxononyl)octadecanamide is sourced from PubChem (CID 144779859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).