2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide

C11H20N2O2 — CID 62066906

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCC1CCC=CO1
InChIInChI=1S/C11H20N2O2/c1-2-6-13-11(14)9-12-8-10-5-3-4-7-15-10/h4,7,10,12H,2-3,5-6,8-9H2,1H3,(H,13,14)
InChIKeyJKLZLMYTQFOJQA-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.79
Rot. Bonds6

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide (PubChem CID 62066906) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide
PubChem CID62066906
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCC1CCC=CO1
InChIInChI=1S/C11H20N2O2/c1-2-6-13-11(14)9-12-8-10-5-3-4-7-15-10/h4,7,10,12H,2-3,5-6,8-9H2,1H3,(H,13,14)
InChIKeyJKLZLMYTQFOJQA-UHFFFAOYSA-N
XLogP0.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide (CID 62066906) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide is CCCNC(=O)CNCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide?
The InChIKey is JKLZLMYTQFOJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-6-13-11(14)9-12-8-10-5-3-4-7-15-10/h4,7,10,12H,2-3,5-6,8-9H2,1H3,(H,13,14).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide is sourced from PubChem (CID 62066906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).