N-[2-(3-oxopropoxy)ethyl]acetamide

C7H13NO3 — CID 158723077

IUPACN-[2-(3-oxopropoxy)ethyl]acetamide
SMILESCC(=O)NCCOCCC=O
InChIInChI=1S/C7H13NO3/c1-7(10)8-3-6-11-5-2-4-9/h4H,2-3,5-6H2,1H3,(H,8,10)
InChIKeyAPGOPPLHRDXWQM-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.27
Rot. Bonds6

About N-[2-(3-oxopropoxy)ethyl]acetamide

N-[2-(3-oxopropoxy)ethyl]acetamide (PubChem CID 158723077) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-[2-(3-oxopropoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-oxopropoxy)ethyl]acetamide
PubChem CID158723077
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC NameN-[2-(3-oxopropoxy)ethyl]acetamide
SMILESCC(=O)NCCOCCC=O
InChIInChI=1S/C7H13NO3/c1-7(10)8-3-6-11-5-2-4-9/h4H,2-3,5-6H2,1H3,(H,8,10)
InChIKeyAPGOPPLHRDXWQM-UHFFFAOYSA-N
XLogP-0.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 177342211
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
N-[2-[2-[2-(ethylamino)ethylamino]ethoxy]ethyl]acetamide
CID 155740927
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid
CID 171541687
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxopropoxy)ethyl]acetamide?
The IUPAC name of N-[2-(3-oxopropoxy)ethyl]acetamide (CID 158723077) is N-[2-(3-oxopropoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-oxopropoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(3-oxopropoxy)ethyl]acetamide is CC(=O)NCCOCCC=O.
What is the InChIKey of N-[2-(3-oxopropoxy)ethyl]acetamide?
The InChIKey is APGOPPLHRDXWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(10)8-3-6-11-5-2-4-9/h4H,2-3,5-6H2,1H3,(H,8,10).
What are the key properties of N-[2-(3-oxopropoxy)ethyl]acetamide?
N-[2-(3-oxopropoxy)ethyl]acetamide has a molecular weight of 159.19 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxopropoxy)ethyl]acetamide is sourced from PubChem (CID 158723077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).