2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide

C11H17NO2 — CID 166890278

IUPAC2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide
SMILESCC1=CC(CNC(=O)C(C)C)=COC1
InChIInChI=1S/C11H17NO2/c1-8(2)11(13)12-5-10-4-9(3)6-14-7-10/h4,7-8H,5-6H2,1-3H3,(H,12,13)
InChIKeyCGLQVIKDEUHOSY-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide

2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide (PubChem CID 166890278) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide
PubChem CID166890278
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide
SMILESCC1=CC(CNC(=O)C(C)C)=COC1
InChIInChI=1S/C11H17NO2/c1-8(2)11(13)12-5-10-4-9(3)6-14-7-10/h4,7-8H,5-6H2,1-3H3,(H,12,13)
InChIKeyCGLQVIKDEUHOSY-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide (CID 166890278) is 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide is CC1=CC(CNC(=O)C(C)C)=COC1.
What is the InChIKey of 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide?
The InChIKey is CGLQVIKDEUHOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)11(13)12-5-10-4-9(3)6-14-7-10/h4,7-8H,5-6H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide?
2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide has a molecular weight of 195.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-2H-pyran-5-yl)methyl]propanamide is sourced from PubChem (CID 166890278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).