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

C11H20N2O2 — CID 115741784

IUPAC2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCC1=CCCOC1
InChIInChI=1S/C11H20N2O2/c1-2-5-13-11(14)8-12-7-10-4-3-6-15-9-10/h4,12H,2-3,5-9H2,1H3,(H,13,14)
InChIKeyDEXSTAMWLCNMNT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds6

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

2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide (PubChem CID 115741784) 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-propylacetamide.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide
PubChem CID115741784
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCC1=CCCOC1
InChIInChI=1S/C11H20N2O2/c1-2-5-13-11(14)8-12-7-10-4-3-6-15-9-10/h4,12H,2-3,5-9H2,1H3,(H,13,14)
InChIKeyDEXSTAMWLCNMNT-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
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
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
CID 70641338
2-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113581455
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone
CID 113581465
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-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]ethanone
CID 114409769
2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114409793
2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409798
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(propan-2-ylamino)ethanone
CID 114409817

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide (CID 115741784) is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide is CCCNC(=O)CNCC1=CCCOC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide?
The InChIKey is DEXSTAMWLCNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-5-13-11(14)8-12-7-10-4-3-6-15-9-10/h4,12H,2-3,5-9H2,1H3,(H,13,14).
What are the key properties of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide?
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 6 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-propylacetamide is sourced from PubChem (CID 115741784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).