2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide

C11H19NO2 — CID 130023682

IUPAC2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide
SMILESCC1CC(NC(=O)C(C)(C)C)C=CO1
InChIInChI=1S/C11H19NO2/c1-8-7-9(5-6-14-8)12-10(13)11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13)
InChIKeyWBDOHXYDQYTKRP-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.84
Rot. Bonds1

About 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide

2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide (PubChem CID 130023682) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide
PubChem CID130023682
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide
SMILESCC1CC(NC(=O)C(C)(C)C)C=CO1
InChIInChI=1S/C11H19NO2/c1-8-7-9(5-6-14-8)12-10(13)11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13)
InChIKeyWBDOHXYDQYTKRP-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide (CID 130023682) is 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide is CC1CC(NC(=O)C(C)(C)C)C=CO1.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide?
The InChIKey is WBDOHXYDQYTKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-7-9(5-6-14-8)12-10(13)11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide?
2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide has a molecular weight of 197.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)propanamide is sourced from PubChem (CID 130023682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).