2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide

C18H33NO7 — CID 58214492

IUPAC2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
SMILESCCCC(=O)CCCOCCOCC(=O)NCCOCCOCC(C)=O
InChIInChI=1S/C18H33NO7/c1-3-5-17(21)6-4-8-23-10-13-26-15-18(22)19-7-9-24-11-12-25-14-16(2)20/h3-15H2,1-2H3,(H,19,22)
InChIKeySJRREKAKEPHNCX-UHFFFAOYSA-N
MW375.46 g/mol
LogP0.91
Rot. Bonds19

About 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide

2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide (PubChem CID 58214492) has the molecular formula C18H33NO7 and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
PubChem CID58214492
Molecular FormulaC18H33NO7
Molecular Weight375.46 g/mol
Exact Mass375.23
IUPAC Name2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
SMILESCCCC(=O)CCCOCCOCC(=O)NCCOCCOCC(C)=O
InChIInChI=1S/C18H33NO7/c1-3-5-17(21)6-4-8-23-10-13-26-15-18(22)19-7-9-24-11-12-25-14-16(2)20/h3-15H2,1-2H3,(H,19,22)
InChIKeySJRREKAKEPHNCX-UHFFFAOYSA-N
XLogP0.91
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide
CID 157294049
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
2-(2-oxopropoxy)-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 123445865
2-(methylamino)-5-oxo-8-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid
CID 158031522
N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-2-[2-[4-oxo-5-[4,7,10-tris(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]pentoxy]ethoxy]acetamide
CID 158842162
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide
CID 178032711
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 59533808
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130440881
N-[(5S)-5-methyl-6-oxoheptyl]-2-[2-[2-[[2-[2-(4-oxononoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 157081898
2-(methylamino)-5-oxo-8-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]octane-1-sulfonic acid
CID 158834568

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide (CID 58214492) is 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide is CCCC(=O)CCCOCCOCC(=O)NCCOCCOCC(C)=O.
What is the InChIKey of 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
The InChIKey is SJRREKAKEPHNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO7/c1-3-5-17(21)6-4-8-23-10-13-26-15-18(22)19-7-9-24-11-12-25-14-16(2)20/h3-15H2,1-2H3,(H,19,22).
What are the key properties of 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide has a molecular weight of 375.46 g/mol, XLogP of 0.91, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 58214492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).