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

C11H20N2O2 — CID 62066907

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC1CCC=CO1
InChIInChI=1S/C11H20N2O2/c1-9(2)13-11(14)8-12-7-10-5-3-4-6-15-10/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyWMGACQHIPPTOMV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.79
Rot. Bonds5

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide (PubChem CID 62066907) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide
PubChem CID62066907
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC1CCC=CO1
InChIInChI=1S/C11H20N2O2/c1-9(2)13-11(14)8-12-7-10-5-3-4-6-15-10/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyWMGACQHIPPTOMV-UHFFFAOYSA-N
XLogP0.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-propan-2-ylacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide (CID 62066907) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide?
The InChIKey is WMGACQHIPPTOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)13-11(14)8-12-7-10-5-3-4-6-15-10/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.79, 5 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-propan-2-ylacetamide is sourced from PubChem (CID 62066907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).