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

C13H24N2O2 — CID 62064401

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C13H24N2O2/c1-4-15(5-2)13(16)11(3)14-10-12-8-6-7-9-17-12/h7,9,11-12,14H,4-6,8,10H2,1-3H3
InChIKeySWHFNFCEJUCMKQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.53
Rot. Bonds6

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide (PubChem CID 62064401) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
PubChem CID62064401
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C13H24N2O2/c1-4-15(5-2)13(16)11(3)14-10-12-8-6-7-9-17-12/h7,9,11-12,14H,4-6,8,10H2,1-3H3
InChIKeySWHFNFCEJUCMKQ-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide (CID 62064401) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide?
The InChIKey is SWHFNFCEJUCMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-15(5-2)13(16)11(3)14-10-12-8-6-7-9-17-12/h7,9,11-12,14H,4-6,8,10H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 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,N-diethylpropanamide is sourced from PubChem (CID 62064401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).