ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide

C19H39NO4 — CID 156794458

IUPACethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
SMILESCC.CCCC(=O)NCCCCCOCCCCCOCC(C)=O
InChIInChI=1S/C17H33NO4.C2H6/c1-3-10-17(20)18-11-6-4-7-12-21-13-8-5-9-14-22-15-16(2)19;1-2/h3-15H2,1-2H3,(H,18,20);1-2H3
InChIKeyLZSAEIOSZXDDNG-UHFFFAOYSA-N
MW345.52 g/mol
LogP3.89
Rot. Bonds16

About ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide

ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide (PubChem CID 156794458) has the molecular formula C19H39NO4 and a molecular weight of 345.52 g/mol. Its IUPAC name is ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide.

Molecular Properties

Compound Nameethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
PubChem CID156794458
Molecular FormulaC19H39NO4
Molecular Weight345.52 g/mol
Exact Mass345.29
IUPAC Nameethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
SMILESCC.CCCC(=O)NCCCCCOCCCCCOCC(C)=O
InChIInChI=1S/C17H33NO4.C2H6/c1-3-10-17(20)18-11-6-4-7-12-21-13-8-5-9-14-22-15-16(2)19;1-2/h3-15H2,1-2H3,(H,18,20);1-2H3
InChIKeyLZSAEIOSZXDDNG-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 53.89
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

ethane;N-(6-oxoheptyl)butanamide
CID 143878068
4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide
CID 178032711
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
CID 121313484
ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
CID 156865396
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-(11-oxododecyl)-2-propoxyacetamide
CID 20692360
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
N-[3-(2-chloroethoxy)propyl]butanamide
CID 106306571
1-hexadecoxypropan-2-one
CID 15701879

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide?
The IUPAC name of ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide (CID 156794458) is ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide.
What is the SMILES notation for ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide?
The canonical SMILES for ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide is CC.CCCC(=O)NCCCCCOCCCCCOCC(C)=O.
What is the InChIKey of ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide?
The InChIKey is LZSAEIOSZXDDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4.C2H6/c1-3-10-17(20)18-11-6-4-7-12-21-13-8-5-9-14-22-15-16(2)19;1-2/h3-15H2,1-2H3,(H,18,20);1-2H3.
What are the key properties of ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide?
ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide has a molecular weight of 345.52 g/mol, XLogP of 3.89, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide is sourced from PubChem (CID 156794458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).