2-methoxy-N-methyl-N-prop-2-ynylacetamide

C7H11NO2 — CID 58544119

IUPAC2-methoxy-N-methyl-N-prop-2-ynylacetamide
SMILESC#CCN(C)C(=O)COC
InChIInChI=1S/C7H11NO2/c1-4-5-8(2)7(9)6-10-3/h1H,5-6H2,2-3H3
InChIKeyHLCVTRSOIUAHGF-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.28
Rot. Bonds3

About 2-methoxy-N-methyl-N-prop-2-ynylacetamide

2-methoxy-N-methyl-N-prop-2-ynylacetamide (PubChem CID 58544119) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-prop-2-ynylacetamide
PubChem CID58544119
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-methoxy-N-methyl-N-prop-2-ynylacetamide
SMILESC#CCN(C)C(=O)COC
InChIInChI=1S/C7H11NO2/c1-4-5-8(2)7(9)6-10-3/h1H,5-6H2,2-3H3
InChIKeyHLCVTRSOIUAHGF-UHFFFAOYSA-N
XLogP-0.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-methoxy-N-methyl-N-prop-2-ynylacetamide (CID 58544119) is 2-methoxy-N-methyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-prop-2-ynylacetamide is C#CCN(C)C(=O)COC.
What is the InChIKey of 2-methoxy-N-methyl-N-prop-2-ynylacetamide?
The InChIKey is HLCVTRSOIUAHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5-8(2)7(9)6-10-3/h1H,5-6H2,2-3H3.
What are the key properties of 2-methoxy-N-methyl-N-prop-2-ynylacetamide?
2-methoxy-N-methyl-N-prop-2-ynylacetamide has a molecular weight of 141.17 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 58544119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).