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

C10H18N2O2 — CID 62066905

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide
SMILESCCNC(=O)CNCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c1-2-12-10(13)8-11-7-9-5-3-4-6-14-9/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyWXGYXYVMSMVFGO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.40
Rot. Bonds5

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide (PubChem CID 62066905) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide
PubChem CID62066905
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide
SMILESCCNC(=O)CNCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c1-2-12-10(13)8-11-7-9-5-3-4-6-14-9/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyWXGYXYVMSMVFGO-UHFFFAOYSA-N
XLogP0.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.40
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-ethylacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide (CID 62066905) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide is CCNC(=O)CNCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide?
The InChIKey is WXGYXYVMSMVFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-12-10(13)8-11-7-9-5-3-4-6-14-9/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,12,13).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.40, 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-ethylacetamide is sourced from PubChem (CID 62066905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).