6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide

C13H23NO4 — CID 59567253

IUPAC6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide
SMILESCOCC(=O)CCCC(=O)NCCCCC(C)=O
InChIInChI=1S/C13H23NO4/c1-11(15)6-3-4-9-14-13(17)8-5-7-12(16)10-18-2/h3-10H2,1-2H3,(H,14,17)
InChIKeyDMZRPCGQHWCOMS-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.25
Rot. Bonds11

About 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide

6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide (PubChem CID 59567253) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide.

Molecular Properties

Compound Name6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide
PubChem CID59567253
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide
SMILESCOCC(=O)CCCC(=O)NCCCCC(C)=O
InChIInChI=1S/C13H23NO4/c1-11(15)6-3-4-9-14-13(17)8-5-7-12(16)10-18-2/h3-10H2,1-2H3,(H,14,17)
InChIKeyDMZRPCGQHWCOMS-UHFFFAOYSA-N
XLogP1.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-5-oxo-N-[3-oxo-3-(4-oxopentylamino)propyl]hexanamide
CID 59567294
6-methoxy-5-oxo-N-(3-oxobutyl)hexanamide
CID 59567342
N-(6,10-dioxoundecyl)-2-methoxyacetamide
CID 167591874
8,13-dioxo-13-(6-oxoheptylamino)tridecanoic acid
CID 159429348
N-(10-oxoundecyl)dodecanamide
CID 171771299
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
6-O-[2-[2-[2-[9-[[2-(2-methoxyacetyl)oxyacetyl]amino]-2-oxononoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] 1-O-[2-oxo-2-(2-oxopropoxy)ethyl] hexanedioate
CID 160524847
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide?
The IUPAC name of 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide (CID 59567253) is 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide.
What is the SMILES notation for 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide?
The canonical SMILES for 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide is COCC(=O)CCCC(=O)NCCCCC(C)=O.
What is the InChIKey of 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide?
The InChIKey is DMZRPCGQHWCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-11(15)6-3-4-9-14-13(17)8-5-7-12(16)10-18-2/h3-10H2,1-2H3,(H,14,17).
What are the key properties of 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide?
6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide has a molecular weight of 257.33 g/mol, XLogP of 1.25, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide is sourced from PubChem (CID 59567253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).