N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten

C9H10NO2W- — CID 58805984

IUPACN-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten
SMILES[2H]N(O)C(=O)Cc1[c-]cccc1C.[W]
InChIInChI=1S/C9H10NO2.W/c1-7-4-2-3-5-8(7)6-9(11)10-12;/h2-4,12H,6H2,1H3,(H,10,11);/q-1;/i/hD
InChIKeyXLKZMLXQXCJBTF-DYCDLGHISA-N
MW349.03 g/mol
LogP0.84
Rot. Bonds2

About N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten

N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten (PubChem CID 58805984) has the molecular formula C9H10NO2W- and a molecular weight of 349.03 g/mol. Its IUPAC name is N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten.

Molecular Properties

Compound NameN-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten
PubChem CID58805984
Molecular FormulaC9H10NO2W-
Molecular Weight349.03 g/mol
Exact Mass349.03
IUPAC NameN-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten
SMILES[2H]N(O)C(=O)Cc1[c-]cccc1C.[W]
InChIInChI=1S/C9H10NO2.W/c1-7-4-2-3-5-8(7)6-9(11)10-12;/h2-4,12H,6H2,1H3,(H,10,11);/q-1;/i/hD
InChIKeyXLKZMLXQXCJBTF-DYCDLGHISA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.03
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 13579829
5-Nonenohydroxamic acid
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(5E,7E)-N-hydroxy-5,7-dodecadienamide
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3-Cyclohexa-1,5-dien-1-ylpropanamide
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N-deuteriooxy-3-(3-methylidene-4-oxocyclohexa-1,5-dien-1-yl)propanamide
CID 60082257
(4Z,6Z)-4-methyl-3-methylideneocta-4,6-dienamide
CID 89352314
(4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide
CID 126611983
2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide
CID 129171956
(4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide
CID 139495856
(E)-3-ethyl-N-hydroxyhept-3-enamide
CID 141365703

Frequently Asked Questions

What is the IUPAC name of N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten?
The IUPAC name of N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten (CID 58805984) is N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten.
What is the SMILES notation for N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten?
The canonical SMILES for N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten is [2H]N(O)C(=O)Cc1[c-]cccc1C.[W].
What is the InChIKey of N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten?
The InChIKey is XLKZMLXQXCJBTF-DYCDLGHISA-N. The full InChI is InChI=1S/C9H10NO2.W/c1-7-4-2-3-5-8(7)6-9(11)10-12;/h2-4,12H,6H2,1H3,(H,10,11);/q-1;/i/hD.
What are the key properties of N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten?
N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten has a molecular weight of 349.03 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten is sourced from PubChem (CID 58805984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).