N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide

C11H19NO2 — CID 130973897

IUPACN-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1=CCOCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)12-8-9-4-6-14-7-5-9/h4H,5-8H2,1-3H3,(H,12,13)
InChIKeyLXIIOVOJHXUDDO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.50
Rot. Bonds2

About N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide

N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide (PubChem CID 130973897) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
PubChem CID130973897
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1=CCOCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)12-8-9-4-6-14-7-5-9/h4H,5-8H2,1-3H3,(H,12,13)
InChIKeyLXIIOVOJHXUDDO-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide 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-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide (CID 130973897) is N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1=CCOCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide?
The InChIKey is LXIIOVOJHXUDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)10(13)12-8-9-4-6-14-7-5-9/h4H,5-8H2,1-3H3,(H,12,13).
What are the key properties of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide?
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide has a molecular weight of 197.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 130973897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).