2-[2-(4-oxopentoxy)ethoxy]acetamide

C9H17NO4 — CID 122436040

IUPAC2-[2-(4-oxopentoxy)ethoxy]acetamide
SMILESCC(=O)CCCOCCOCC(N)=O
InChIInChI=1S/C9H17NO4/c1-8(11)3-2-4-13-5-6-14-7-9(10)12/h2-7H2,1H3,(H2,10,12)
InChIKeyMQXWDGUTLIBMPB-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.13
Rot. Bonds9

About 2-[2-(4-oxopentoxy)ethoxy]acetamide

2-[2-(4-oxopentoxy)ethoxy]acetamide (PubChem CID 122436040) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[2-(4-oxopentoxy)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(4-oxopentoxy)ethoxy]acetamide
PubChem CID122436040
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[2-(4-oxopentoxy)ethoxy]acetamide
SMILESCC(=O)CCCOCCOCC(N)=O
InChIInChI=1S/C9H17NO4/c1-8(11)3-2-4-13-5-6-14-7-9(10)12/h2-7H2,1H3,(H2,10,12)
InChIKeyMQXWDGUTLIBMPB-UHFFFAOYSA-N
XLogP-0.13
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.13
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

2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
6-[2-(2-propoxyethoxy)ethoxy]hexan-2-one
CID 58427327
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848
2-[4-(4-aminobutoxy)butoxy]acetamide
CID 155031633
2-tridecoxyacetamide
CID 54483018
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
CID 154729285
4-oxopentyl hydrogen carbonate
CID 59356220

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxopentoxy)ethoxy]acetamide?
The IUPAC name of 2-[2-(4-oxopentoxy)ethoxy]acetamide (CID 122436040) is 2-[2-(4-oxopentoxy)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(4-oxopentoxy)ethoxy]acetamide?
The canonical SMILES for 2-[2-(4-oxopentoxy)ethoxy]acetamide is CC(=O)CCCOCCOCC(N)=O.
What is the InChIKey of 2-[2-(4-oxopentoxy)ethoxy]acetamide?
The InChIKey is MQXWDGUTLIBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-8(11)3-2-4-13-5-6-14-7-9(10)12/h2-7H2,1H3,(H2,10,12).
What are the key properties of 2-[2-(4-oxopentoxy)ethoxy]acetamide?
2-[2-(4-oxopentoxy)ethoxy]acetamide has a molecular weight of 203.24 g/mol, XLogP of -0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxopentoxy)ethoxy]acetamide is sourced from PubChem (CID 122436040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).