N-methyl-4-oxo-N-propan-2-yloxybutanamide

C8H15NO3 — CID 130192137

IUPACN-methyl-4-oxo-N-propan-2-yloxybutanamide
SMILESCC(C)ON(C)C(=O)CCC=O
InChIInChI=1S/C8H15NO3/c1-7(2)12-9(3)8(11)5-4-6-10/h6-7H,4-5H2,1-3H3
InChIKeyONCOVQAUBDPPAL-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.76
Rot. Bonds5

About N-methyl-4-oxo-N-propan-2-yloxybutanamide

N-methyl-4-oxo-N-propan-2-yloxybutanamide (PubChem CID 130192137) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-methyl-4-oxo-N-propan-2-yloxybutanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-propan-2-yloxybutanamide
PubChem CID130192137
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-methyl-4-oxo-N-propan-2-yloxybutanamide
SMILESCC(C)ON(C)C(=O)CCC=O
InChIInChI=1S/C8H15NO3/c1-7(2)12-9(3)8(11)5-4-6-10/h6-7H,4-5H2,1-3H3
InChIKeyONCOVQAUBDPPAL-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.76
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-methyl-4-oxo-N-propan-2-yloxybutanamide?
The IUPAC name of N-methyl-4-oxo-N-propan-2-yloxybutanamide (CID 130192137) is N-methyl-4-oxo-N-propan-2-yloxybutanamide.
What is the SMILES notation for N-methyl-4-oxo-N-propan-2-yloxybutanamide?
The canonical SMILES for N-methyl-4-oxo-N-propan-2-yloxybutanamide is CC(C)ON(C)C(=O)CCC=O.
What is the InChIKey of N-methyl-4-oxo-N-propan-2-yloxybutanamide?
The InChIKey is ONCOVQAUBDPPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(2)12-9(3)8(11)5-4-6-10/h6-7H,4-5H2,1-3H3.
What are the key properties of N-methyl-4-oxo-N-propan-2-yloxybutanamide?
N-methyl-4-oxo-N-propan-2-yloxybutanamide has a molecular weight of 173.21 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-propan-2-yloxybutanamide is sourced from PubChem (CID 130192137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).