5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide

C21H40N2O6 — CID 129222312

IUPAC5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
SMILESCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(C)=O
InChIInChI=1S/C21H40N2O6/c1-3-4-9-20(25)22-11-6-13-27-15-17-29-18-16-28-14-7-12-23-21(26)10-5-8-19(2)24/h3-18H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFFKNOBDNZWHESZ-UHFFFAOYSA-N
MW416.56 g/mol
LogP2.00
Rot. Bonds21

About 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide

5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide (PubChem CID 129222312) has the molecular formula C21H40N2O6 and a molecular weight of 416.56 g/mol. Its IUPAC name is 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide.

Molecular Properties

Compound Name5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
PubChem CID129222312
Molecular FormulaC21H40N2O6
Molecular Weight416.56 g/mol
Exact Mass416.29
IUPAC Name5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
SMILESCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(C)=O
InChIInChI=1S/C21H40N2O6/c1-3-4-9-20(25)22-11-6-13-27-15-17-29-18-16-28-14-7-12-23-21(26)10-5-8-19(2)24/h3-18H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFFKNOBDNZWHESZ-UHFFFAOYSA-N
XLogP2.00
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide
CID 142462796
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
CID 121313484
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
2-[2-oxo-2-[3-[2-[2-[3-(18-oxononadecanoylamino)propoxy]ethoxy]ethoxy]propylamino]ethoxy]acetic acid
CID 122413582

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide?
The IUPAC name of 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide (CID 129222312) is 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide.
What is the SMILES notation for 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide?
The canonical SMILES for 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide is CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(C)=O.
What is the InChIKey of 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide?
The InChIKey is FFKNOBDNZWHESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O6/c1-3-4-9-20(25)22-11-6-13-27-15-17-29-18-16-28-14-7-12-23-21(26)10-5-8-19(2)24/h3-18H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide?
5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide has a molecular weight of 416.56 g/mol, XLogP of 2.00, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide is sourced from PubChem (CID 129222312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).