N-ethoxy-N-methyl-4-oxobutanamide

C7H13NO3 — CID 130192260

IUPACN-ethoxy-N-methyl-4-oxobutanamide
SMILESCCON(C)C(=O)CCC=O
InChIInChI=1S/C7H13NO3/c1-3-11-8(2)7(10)5-4-6-9/h6H,3-5H2,1-2H3
InChIKeyFLDPLAVROZRKNO-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.38
Rot. Bonds5

About N-ethoxy-N-methyl-4-oxobutanamide

N-ethoxy-N-methyl-4-oxobutanamide (PubChem CID 130192260) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-ethoxy-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-ethoxy-N-methyl-4-oxobutanamide
PubChem CID130192260
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC NameN-ethoxy-N-methyl-4-oxobutanamide
SMILESCCON(C)C(=O)CCC=O
InChIInChI=1S/C7H13NO3/c1-3-11-8(2)7(10)5-4-6-9/h6H,3-5H2,1-2H3
InChIKeyFLDPLAVROZRKNO-UHFFFAOYSA-N
XLogP0.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-methyl-4-oxobutanamide?
The IUPAC name of N-ethoxy-N-methyl-4-oxobutanamide (CID 130192260) is N-ethoxy-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-ethoxy-N-methyl-4-oxobutanamide?
The canonical SMILES for N-ethoxy-N-methyl-4-oxobutanamide is CCON(C)C(=O)CCC=O.
What is the InChIKey of N-ethoxy-N-methyl-4-oxobutanamide?
The InChIKey is FLDPLAVROZRKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-11-8(2)7(10)5-4-6-9/h6H,3-5H2,1-2H3.
What are the key properties of N-ethoxy-N-methyl-4-oxobutanamide?
N-ethoxy-N-methyl-4-oxobutanamide has a molecular weight of 159.19 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-methyl-4-oxobutanamide is sourced from PubChem (CID 130192260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).