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

C13H24N2O2 — CID 62064241

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCC1CCC=CO1
InChIInChI=1S/C13H24N2O2/c1-3-15(4-2)13(16)8-9-14-11-12-7-5-6-10-17-12/h6,10,12,14H,3-5,7-9,11H2,1-2H3
InChIKeyGIGXPJSGCOFKFA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.53
Rot. Bonds7

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

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide (PubChem CID 62064241) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
PubChem CID62064241
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCC1CCC=CO1
InChIInChI=1S/C13H24N2O2/c1-3-15(4-2)13(16)8-9-14-11-12-7-5-6-10-17-12/h6,10,12,14H,3-5,7-9,11H2,1-2H3
InChIKeyGIGXPJSGCOFKFA-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide (CID 62064241) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide?
The InChIKey is GIGXPJSGCOFKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-15(4-2)13(16)8-9-14-11-12-7-5-6-10-17-12/h6,10,12,14H,3-5,7-9,11H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 62064241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).