N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide

C12H22N2O2 — CID 62066706

IUPACN-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCC1CCC=CO1
InChIInChI=1S/C12H22N2O2/c1-10(2)12(15)14-7-6-13-9-11-5-3-4-8-16-11/h4,8,10-11,13H,3,5-7,9H2,1-2H3,(H,14,15)
InChIKeyGXMAAKGEBWXQMT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.04
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide

N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide (PubChem CID 62066706) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide
PubChem CID62066706
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCC1CCC=CO1
InChIInChI=1S/C12H22N2O2/c1-10(2)12(15)14-7-6-13-9-11-5-3-4-8-16-11/h4,8,10-11,13H,3,5-7,9H2,1-2H3,(H,14,15)
InChIKeyGXMAAKGEBWXQMT-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide (CID 62066706) is N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNCC1CCC=CO1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide?
The InChIKey is GXMAAKGEBWXQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)12(15)14-7-6-13-9-11-5-3-4-8-16-11/h4,8,10-11,13H,3,5-7,9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide?
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 62066706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).