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

C12H22N2O2 — CID 62064719

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C12H22N2O2/c1-3-7-13-12(15)10(2)14-9-11-6-4-5-8-16-11/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3,(H,13,15)
InChIKeyKLMYRRMLSWRJGK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.18
Rot. Bonds6

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide (PubChem CID 62064719) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide
PubChem CID62064719
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C12H22N2O2/c1-3-7-13-12(15)10(2)14-9-11-6-4-5-8-16-11/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3,(H,13,15)
InChIKeyKLMYRRMLSWRJGK-UHFFFAOYSA-N
XLogP1.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.18
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-propylpropanamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide (CID 62064719) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide is CCCNC(=O)C(C)NCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide?
The InChIKey is KLMYRRMLSWRJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-7-13-12(15)10(2)14-9-11-6-4-5-8-16-11/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3,(H,13,15).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 1.18, 6 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-propylpropanamide is sourced from PubChem (CID 62064719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).