N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide

C12H15NO4 — CID 21306105

IUPACN-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide
SMILESCN(O)C(=O)CC1COC(c2ccccc2)O1
InChIInChI=1S/C12H15NO4/c1-13(15)11(14)7-10-8-16-12(17-10)9-5-3-2-4-6-9/h2-6,10,12,15H,7-8H2,1H3
InChIKeyXYHPYTYZQUWDBL-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.34
Rot. Bonds3

About N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide

N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide (PubChem CID 21306105) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide
PubChem CID21306105
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide
SMILESCN(O)C(=O)CC1COC(c2ccccc2)O1
InChIInChI=1S/C12H15NO4/c1-13(15)11(14)7-10-8-16-12(17-10)9-5-3-2-4-6-9/h2-6,10,12,15H,7-8H2,1H3
InChIKeyXYHPYTYZQUWDBL-UHFFFAOYSA-N
XLogP1.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide
CID 175775271
methyl 2-[2-(3-chlorophenyl)-1,3-dioxolan-4-yl]acetate
CID 117169838
1-[(2-phenyl-1,3-dioxolan-4-yl)methyl]-3,4-di(propan-2-yl)pyrrole-2,5-diol
CID 123767494
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
2-phenyl-1,3-dioxane-5-carbonyl chloride
CID 18682418
4-(2-phenyl-1,3-dioxan-4-yl)butan-2-one
CID 134360383
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide?
The IUPAC name of N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide (CID 21306105) is N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide.
What is the SMILES notation for N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide?
The canonical SMILES for N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide is CN(O)C(=O)CC1COC(c2ccccc2)O1.
What is the InChIKey of N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide?
The InChIKey is XYHPYTYZQUWDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(15)11(14)7-10-8-16-12(17-10)9-5-3-2-4-6-9/h2-6,10,12,15H,7-8H2,1H3.
What are the key properties of N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide?
N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide has a molecular weight of 237.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide is sourced from PubChem (CID 21306105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).