N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide

C10H17NO4 — CID 163511226

IUPACN-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1=CC(C)C(O)C(CO)O1
InChIInChI=1S/C10H17NO4/c1-6-4-9(11(3)7(2)13)15-8(5-12)10(6)14/h4,6,8,10,12,14H,5H2,1-3H3
InChIKeyDCWBHJQAKQFRFV-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.31
Rot. Bonds2

About N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide

N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide (PubChem CID 163511226) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide
PubChem CID163511226
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1=CC(C)C(O)C(CO)O1
InChIInChI=1S/C10H17NO4/c1-6-4-9(11(3)7(2)13)15-8(5-12)10(6)14/h4,6,8,10,12,14H,5H2,1-3H3
InChIKeyDCWBHJQAKQFRFV-UHFFFAOYSA-N
XLogP-0.31
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
1-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone
CID 101132991
N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide
CID 54363629
[(4S,5R)-2-acetyloxy-5-hydroxy-6-(hydroxymethyl)-4-methyloxan-3-yl] acetate
CID 174063951
N-[(2Z)-4,5-dihydroxy-2-hydroxyimino-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 6110046
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
[(3R,4S,5R,6R)-2,3-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 70122725
(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide
CID 44538125
N-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide
CID 6420194
1-[(2R,3R,4S,5S,6R)-3-amino-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
CID 140653624
1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
CID 18650344
N-benzyl-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 10903008

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide?
The IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide (CID 163511226) is N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide.
What is the SMILES notation for N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide?
The canonical SMILES for N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide is CC(=O)N(C)C1=CC(C)C(O)C(CO)O1.
What is the InChIKey of N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide?
The InChIKey is DCWBHJQAKQFRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6-4-9(11(3)7(2)13)15-8(5-12)10(6)14/h4,6,8,10,12,14H,5H2,1-3H3.
What are the key properties of N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide?
N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide has a molecular weight of 215.25 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylacetamide is sourced from PubChem (CID 163511226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).