N-(2-methoxyethyl)-2-oxobutanamide

C7H13NO3 — CID 141125375

IUPACN-(2-methoxyethyl)-2-oxobutanamide
SMILESCCC(=O)C(=O)NCCOC
InChIInChI=1S/C7H13NO3/c1-3-6(9)7(10)8-4-5-11-2/h3-5H2,1-2H3,(H,8,10)
InChIKeyJDJFQWHKJAGUEZ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.27
Rot. Bonds5

About N-(2-methoxyethyl)-2-oxobutanamide

N-(2-methoxyethyl)-2-oxobutanamide (PubChem CID 141125375) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-oxobutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-oxobutanamide
PubChem CID141125375
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC NameN-(2-methoxyethyl)-2-oxobutanamide
SMILESCCC(=O)C(=O)NCCOC
InChIInChI=1S/C7H13NO3/c1-3-6(9)7(10)8-4-5-11-2/h3-5H2,1-2H3,(H,8,10)
InChIKeyJDJFQWHKJAGUEZ-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'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide
CID 123938959
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N',N'-dibutyl-N-(2-methoxyethyl)oxamide
CID 108504989
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N'-butyl-N-(2-methoxyethyl)-N'-methyloxamide
CID 108505015
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
1-ethoxy-3-(2-methoxyethyl)urea
CID 146345452

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-oxobutanamide?
The IUPAC name of N-(2-methoxyethyl)-2-oxobutanamide (CID 141125375) is N-(2-methoxyethyl)-2-oxobutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-oxobutanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-oxobutanamide is CCC(=O)C(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-oxobutanamide?
The InChIKey is JDJFQWHKJAGUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-6(9)7(10)8-4-5-11-2/h3-5H2,1-2H3,(H,8,10).
What are the key properties of N-(2-methoxyethyl)-2-oxobutanamide?
N-(2-methoxyethyl)-2-oxobutanamide 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-methoxyethyl)-2-oxobutanamide is sourced from PubChem (CID 141125375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).