ethane;N-(6-oxoheptyl)butanamide

C15H33NO2 — CID 143878068

IUPACethane;N-(6-oxoheptyl)butanamide
SMILESCC.CC.CCCC(=O)NCCCCCC(C)=O
InChIInChI=1S/C11H21NO2.2C2H6/c1-3-7-11(14)12-9-6-4-5-8-10(2)13;2*1-2/h3-9H2,1-2H3,(H,12,14);2*1-2H3
InChIKeyJXOWAFSPRJGKKW-UHFFFAOYSA-N
MW259.43 g/mol
LogP4.10
Rot. Bonds8

About ethane;N-(6-oxoheptyl)butanamide

ethane;N-(6-oxoheptyl)butanamide (PubChem CID 143878068) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is ethane;N-(6-oxoheptyl)butanamide.

Molecular Properties

Compound Nameethane;N-(6-oxoheptyl)butanamide
PubChem CID143878068
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nameethane;N-(6-oxoheptyl)butanamide
SMILESCC.CC.CCCC(=O)NCCCCCC(C)=O
InChIInChI=1S/C11H21NO2.2C2H6/c1-3-7-11(14)12-9-6-4-5-8-10(2)13;2*1-2/h3-9H2,1-2H3,(H,12,14);2*1-2H3
InChIKeyJXOWAFSPRJGKKW-UHFFFAOYSA-N
XLogP4.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
N-(10-oxoundecyl)dodecanamide
CID 171771299
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
N-(12-oxotridecyl)propanamide
CID 171540592
12-oxo-N-propyltridecanamide
CID 135223938
16-(butanoylamino)hexadecanoic acid
CID 118711043
ethane;N-heptylhexadecanamide
CID 142440540
N-(4-acetamidobutyl)butanamide
CID 110417477
ethane;N-octylhexanamide
CID 177149935
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122

Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-oxoheptyl)butanamide?
The IUPAC name of ethane;N-(6-oxoheptyl)butanamide (CID 143878068) is ethane;N-(6-oxoheptyl)butanamide.
What is the SMILES notation for ethane;N-(6-oxoheptyl)butanamide?
The canonical SMILES for ethane;N-(6-oxoheptyl)butanamide is CC.CC.CCCC(=O)NCCCCCC(C)=O.
What is the InChIKey of ethane;N-(6-oxoheptyl)butanamide?
The InChIKey is JXOWAFSPRJGKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.2C2H6/c1-3-7-11(14)12-9-6-4-5-8-10(2)13;2*1-2/h3-9H2,1-2H3,(H,12,14);2*1-2H3.
What are the key properties of ethane;N-(6-oxoheptyl)butanamide?
ethane;N-(6-oxoheptyl)butanamide has a molecular weight of 259.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(6-oxoheptyl)butanamide is sourced from PubChem (CID 143878068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).