N-methyl-N-propoxyacetamide

C6H13NO2 — CID 143028484

IUPACN-methyl-N-propoxyacetamide
SMILESCCCON(C)C(C)=O
InChIInChI=1S/C6H13NO2/c1-4-5-9-7(3)6(2)8/h4-5H2,1-3H3
InChIKeyZRAMUSFVNGJBMZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.81
Rot. Bonds3

About N-methyl-N-propoxyacetamide

N-methyl-N-propoxyacetamide (PubChem CID 143028484) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-methyl-N-propoxyacetamide.

Molecular Properties

Compound NameN-methyl-N-propoxyacetamide
PubChem CID143028484
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-methyl-N-propoxyacetamide
SMILESCCCON(C)C(C)=O
InChIInChI=1S/C6H13NO2/c1-4-5-9-7(3)6(2)8/h4-5H2,1-3H3
InChIKeyZRAMUSFVNGJBMZ-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-N-propoxyacetamide?
The IUPAC name of N-methyl-N-propoxyacetamide (CID 143028484) is N-methyl-N-propoxyacetamide.
What is the SMILES notation for N-methyl-N-propoxyacetamide?
The canonical SMILES for N-methyl-N-propoxyacetamide is CCCON(C)C(C)=O.
What is the InChIKey of N-methyl-N-propoxyacetamide?
The InChIKey is ZRAMUSFVNGJBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-5-9-7(3)6(2)8/h4-5H2,1-3H3.
What are the key properties of N-methyl-N-propoxyacetamide?
N-methyl-N-propoxyacetamide has a molecular weight of 131.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propoxyacetamide is sourced from PubChem (CID 143028484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).