2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide

C11H20N2O2 — CID 115674363

IUPAC2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC1=CCCOC1
InChIInChI=1S/C11H20N2O2/c1-9(2)13-11(14)7-12-6-10-4-3-5-15-8-10/h4,9,12H,3,5-8H2,1-2H3,(H,13,14)
InChIKeyXSDPHBBWXZVNRH-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds5

About 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide

2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide (PubChem CID 115674363) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide
PubChem CID115674363
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC1=CCCOC1
InChIInChI=1S/C11H20N2O2/c1-9(2)13-11(14)7-12-6-10-4-3-5-15-8-10/h4,9,12H,3,5-8H2,1-2H3,(H,13,14)
InChIKeyXSDPHBBWXZVNRH-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3,6-dihydro-2H-pyran-5-ylmethyl(2-methylpropyl)amino]acetamide
CID 132303611
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921258
(2S)-2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 104921264
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921267
2-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113581455
2-(butan-2-ylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113581476
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(methylamino)ethanone
CID 114409658
2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114409711
2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide
CID 114409712
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-(methylamino)propan-1-one
CID 114409714
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760
2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409798

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide (CID 115674363) is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNCC1=CCCOC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide?
The InChIKey is XSDPHBBWXZVNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)13-11(14)7-12-6-10-4-3-5-15-8-10/h4,9,12H,3,5-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide?
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 115674363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).