3-methoxypropanamide;3-oxopropyl acetate

C9H17NO5 — CID 87408410

IUPAC3-methoxypropanamide;3-oxopropyl acetate
SMILESCC(=O)OCCC=O.COCCC(N)=O
InChIInChI=1S/C5H8O3.C4H9NO2/c1-5(7)8-4-2-3-6;1-7-3-2-4(5)6/h3H,2,4H2,1H3;2-3H2,1H3,(H2,5,6)
InChIKeyLGFDHUJCSUFBAX-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.35
Rot. Bonds6

About 3-methoxypropanamide;3-oxopropyl acetate

3-methoxypropanamide;3-oxopropyl acetate (PubChem CID 87408410) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methoxypropanamide;3-oxopropyl acetate.

Molecular Properties

Compound Name3-methoxypropanamide;3-oxopropyl acetate
PubChem CID87408410
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name3-methoxypropanamide;3-oxopropyl acetate
SMILESCC(=O)OCCC=O.COCCC(N)=O
InChIInChI=1S/C5H8O3.C4H9NO2/c1-5(7)8-4-2-3-6;1-7-3-2-4(5)6/h3H,2,4H2,1H3;2-3H2,1H3,(H2,5,6)
InChIKeyLGFDHUJCSUFBAX-UHFFFAOYSA-N
XLogP-0.35
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

sodium;hydride;3-oxopropyl acetate
CID 173250842
(3-amino-3-oxopropyl) acetate
CID 19981550
4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
CID 144983599
4-methoxybutanamide
CID 22414177
3,7-dioxoheptyl acetate
CID 174793322
3-methoxypropanal;titanium
CID 87154259
pent-3-enyl acetate
CID 54089070
4-methoxybutanamide;hydrochloride
CID 141117964
cyclopropane;2-methoxyethyl acetate
CID 69413766
2-hydroxyethyl acetate;2-methoxyethyl acetate
CID 159506787
methane;4-methoxybutyl acetate
CID 160669604
1,2-dimethoxyethane;ethyl acetate
CID 87198031

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropanamide;3-oxopropyl acetate?
The IUPAC name of 3-methoxypropanamide;3-oxopropyl acetate (CID 87408410) is 3-methoxypropanamide;3-oxopropyl acetate.
What is the SMILES notation for 3-methoxypropanamide;3-oxopropyl acetate?
The canonical SMILES for 3-methoxypropanamide;3-oxopropyl acetate is CC(=O)OCCC=O.COCCC(N)=O.
What is the InChIKey of 3-methoxypropanamide;3-oxopropyl acetate?
The InChIKey is LGFDHUJCSUFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H9NO2/c1-5(7)8-4-2-3-6;1-7-3-2-4(5)6/h3H,2,4H2,1H3;2-3H2,1H3,(H2,5,6).
What are the key properties of 3-methoxypropanamide;3-oxopropyl acetate?
3-methoxypropanamide;3-oxopropyl acetate has a molecular weight of 219.24 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropanamide;3-oxopropyl acetate is sourced from PubChem (CID 87408410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).