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

C11H20N2O2 — CID 62064202

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C11H20N2O2/c1-3-12-11(14)9(2)13-8-10-6-4-5-7-15-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3,(H,12,14)
InChIKeyFGQPPBDHSDRGDC-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.79
Rot. Bonds5

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide (PubChem CID 62064202) 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-ethylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide
PubChem CID62064202
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C11H20N2O2/c1-3-12-11(14)9(2)13-8-10-6-4-5-7-15-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3,(H,12,14)
InChIKeyFGQPPBDHSDRGDC-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-ethylpropanamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide (CID 62064202) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide is CCNC(=O)C(C)NCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide?
The InChIKey is FGQPPBDHSDRGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-12-11(14)9(2)13-8-10-6-4-5-7-15-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3,(H,12,14).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide 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-ethylpropanamide is sourced from PubChem (CID 62064202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).