N-methoxy-N-methyl-4-oxopentanamide

C7H13NO3 — CID 15521919

IUPACN-methoxy-N-methyl-4-oxopentanamide
SMILESCON(C)C(=O)CCC(C)=O
InChIInChI=1S/C7H13NO3/c1-6(9)4-5-7(10)8(2)11-3/h4-5H2,1-3H3
InChIKeyXOHQJZCCBJVTED-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.38
Rot. Bonds4

About N-methoxy-N-methyl-4-oxopentanamide

N-methoxy-N-methyl-4-oxopentanamide (PubChem CID 15521919) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-oxopentanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-oxopentanamide
PubChem CID15521919
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-methoxy-N-methyl-4-oxopentanamide
SMILESCON(C)C(=O)CCC(C)=O
InChIInChI=1S/C7H13NO3/c1-6(9)4-5-7(10)8(2)11-3/h4-5H2,1-3H3
InChIKeyXOHQJZCCBJVTED-UHFFFAOYSA-N
XLogP0.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-oxopentanamide?
The IUPAC name of N-methoxy-N-methyl-4-oxopentanamide (CID 15521919) is N-methoxy-N-methyl-4-oxopentanamide.
What is the SMILES notation for N-methoxy-N-methyl-4-oxopentanamide?
The canonical SMILES for N-methoxy-N-methyl-4-oxopentanamide is CON(C)C(=O)CCC(C)=O.
What is the InChIKey of N-methoxy-N-methyl-4-oxopentanamide?
The InChIKey is XOHQJZCCBJVTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)4-5-7(10)8(2)11-3/h4-5H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-4-oxopentanamide?
N-methoxy-N-methyl-4-oxopentanamide has a molecular weight of 159.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-oxopentanamide is sourced from PubChem (CID 15521919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).