2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide

C7H13NO4 — CID 166732225

IUPAC2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide
SMILESNC(=O)CC1COC(CO)OC1
InChIInChI=1S/C7H13NO4/c8-6(10)1-5-3-11-7(2-9)12-4-5/h5,7,9H,1-4H2,(H2,8,10)
InChIKeyDWGRPQKNGHMEIY-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.16
Rot. Bonds3

About 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide

2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide (PubChem CID 166732225) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide
PubChem CID166732225
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide
SMILESNC(=O)CC1COC(CO)OC1
InChIInChI=1S/C7H13NO4/c8-6(10)1-5-3-11-7(2-9)12-4-5/h5,7,9H,1-4H2,(H2,8,10)
InChIKeyDWGRPQKNGHMEIY-UHFFFAOYSA-N
XLogP-1.16
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dioxolan-4-yl)acetamide
CID 87931797
2-cyclodecylacetamide
CID 150110792
2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide
CID 139724792
(2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 177185447
2-(3-methylcyclobutyl)acetamide
CID 145484105
2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 169091321
2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide
CID 175823976
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
2-[3-(difluoromethyl)cyclobutyl]acetamide
CID 123369829
[(4R)-4-methyl-1,3-dioxolan-2-yl]methanol
CID 142218805
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66687478
2-[(1R,3S)-3-methoxycyclopentyl]acetamide
CID 66658850

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide (CID 166732225) is 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide is NC(=O)CC1COC(CO)OC1.
What is the InChIKey of 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide?
The InChIKey is DWGRPQKNGHMEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c8-6(10)1-5-3-11-7(2-9)12-4-5/h5,7,9H,1-4H2,(H2,8,10).
What are the key properties of 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide?
2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide has a molecular weight of 175.18 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide is sourced from PubChem (CID 166732225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).