4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide

C15H26N2O5 — CID 58846858

IUPAC4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide
SMILESCC(=O)CCC(=O)NCCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C15H26N2O5/c1-12(18)4-6-14(20)16-8-3-10-22-11-9-17-15(21)7-5-13(2)19/h3-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyNQUZMSKEKYLBEM-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.36
Rot. Bonds13

About 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide

4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide (PubChem CID 58846858) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide
PubChem CID58846858
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide
SMILESCC(=O)CCC(=O)NCCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C15H26N2O5/c1-12(18)4-6-14(20)16-8-3-10-22-11-9-17-15(21)7-5-13(2)19/h3-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyNQUZMSKEKYLBEM-UHFFFAOYSA-N
XLogP0.36
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-methoxyethyl)pentanediamide
CID 2165605
5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide
CID 171557105
N,N'-(oxydiethane-2,1-diyl)bis(3-oxobutanamide)
CID 129876789
N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide
CID 103082338
N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide
CID 171065096
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-heptyl-N'-(2-methoxyethyl)butanediamide
CID 5221406
N,N'-bis(2-methoxyethyl)butanediamide
CID 2168707
N-(2-methoxyethyl)pentanamide
CID 4162939
N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide
CID 20686584
N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]pentanamide
CID 20721382
N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide
CID 21059348

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide?
The IUPAC name of 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide (CID 58846858) is 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide.
What is the SMILES notation for 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide?
The canonical SMILES for 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide is CC(=O)CCC(=O)NCCCOCCNC(=O)CCC(C)=O.
What is the InChIKey of 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide?
The InChIKey is NQUZMSKEKYLBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-12(18)4-6-14(20)16-8-3-10-22-11-9-17-15(21)7-5-13(2)19/h3-11H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide?
4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide has a molecular weight of 314.38 g/mol, XLogP of 0.36, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[3-[2-(4-oxopentanoylamino)ethoxy]propyl]pentanamide is sourced from PubChem (CID 58846858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).