2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide

C14H21NO5 — CID 79868959

IUPAC2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1coc(CO)cc1=O
InChIInChI=1S/C14H21NO5/c1-4-5-9(2)15-14(18)10(3)20-13-8-19-11(7-16)6-12(13)17/h6,8-10,16H,4-5,7H2,1-3H3,(H,15,18)
InChIKeySMSXFZOUDIBLOS-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.20
Rot. Bonds7

About 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide (PubChem CID 79868959) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide
PubChem CID79868959
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1coc(CO)cc1=O
InChIInChI=1S/C14H21NO5/c1-4-5-9(2)15-14(18)10(3)20-13-8-19-11(7-16)6-12(13)17/h6,8-10,16H,4-5,7H2,1-3H3,(H,15,18)
InChIKeySMSXFZOUDIBLOS-UHFFFAOYSA-N
XLogP1.20
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide (CID 79868959) is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1coc(CO)cc1=O.
What is the InChIKey of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide?
The InChIKey is SMSXFZOUDIBLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-4-5-9(2)15-14(18)10(3)20-13-8-19-11(7-16)6-12(13)17/h6,8-10,16H,4-5,7H2,1-3H3,(H,15,18).
What are the key properties of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide?
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide has a molecular weight of 283.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-pentan-2-ylpropanamide is sourced from PubChem (CID 79868959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).