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

C7H13NO3 — CID 144871697

IUPACN-[2-(2-oxopropoxy)ethyl]acetamide
SMILESCC(=O)COCCNC(C)=O
InChIInChI=1S/C7H13NO3/c1-6(9)5-11-4-3-8-7(2)10/h3-5H2,1-2H3,(H,8,10)
InChIKeyLNMKBNJMLVJHFH-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.27
Rot. Bonds5

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

N-[2-(2-oxopropoxy)ethyl]acetamide (PubChem CID 144871697) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-[2-(2-oxopropoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-oxopropoxy)ethyl]acetamide
PubChem CID144871697
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC NameN-[2-(2-oxopropoxy)ethyl]acetamide
SMILESCC(=O)COCCNC(C)=O
InChIInChI=1S/C7H13NO3/c1-6(9)5-11-4-3-8-7(2)10/h3-5H2,1-2H3,(H,8,10)
InChIKeyLNMKBNJMLVJHFH-UHFFFAOYSA-N
XLogP-0.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
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
1-[2-[2-[2-[2-(iodoamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 134579487
N-[2-(methylphosphanylmethoxy)ethyl]acetamide
CID 134365686
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopropoxy)ethyl]acetamide?
The IUPAC name of N-[2-(2-oxopropoxy)ethyl]acetamide (CID 144871697) is N-[2-(2-oxopropoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-oxopropoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(2-oxopropoxy)ethyl]acetamide is CC(=O)COCCNC(C)=O.
What is the InChIKey of N-[2-(2-oxopropoxy)ethyl]acetamide?
The InChIKey is LNMKBNJMLVJHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)5-11-4-3-8-7(2)10/h3-5H2,1-2H3,(H,8,10).
What are the key properties of N-[2-(2-oxopropoxy)ethyl]acetamide?
N-[2-(2-oxopropoxy)ethyl]acetamide has a molecular weight of 159.19 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopropoxy)ethyl]acetamide is sourced from PubChem (CID 144871697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).