N-(3-methoxyphenyl)-3-oxopropanamide;tungsten

C10H10NO3W- — CID 155694701

IUPACN-(3-methoxyphenyl)-3-oxopropanamide;tungsten
SMILESCOc1cccc(NC(=O)C[C-]=O)c1.[W]
InChIInChI=1S/C10H10NO3.W/c1-14-9-4-2-3-8(7-9)11-10(13)5-6-12;/h2-4,7H,5H2,1H3,(H,11,13);/q-1;
InChIKeyXUXFDINEUDFWGL-UHFFFAOYSA-N
MW376.03 g/mol
LogP1.13
Rot. Bonds4

About N-(3-methoxyphenyl)-3-oxopropanamide;tungsten

N-(3-methoxyphenyl)-3-oxopropanamide;tungsten (PubChem CID 155694701) has the molecular formula C10H10NO3W- and a molecular weight of 376.03 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-oxopropanamide;tungsten.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-oxopropanamide;tungsten
PubChem CID155694701
Molecular FormulaC10H10NO3W-
Molecular Weight376.03 g/mol
Exact Mass376.02
IUPAC NameN-(3-methoxyphenyl)-3-oxopropanamide;tungsten
SMILESCOc1cccc(NC(=O)C[C-]=O)c1.[W]
InChIInChI=1S/C10H10NO3.W/c1-14-9-4-2-3-8(7-9)11-10(13)5-6-12;/h2-4,7H,5H2,1H3,(H,11,13);/q-1;
InChIKeyXUXFDINEUDFWGL-UHFFFAOYSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.03
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
CID 65038567
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-oxopropanamide;tungsten?
The IUPAC name of N-(3-methoxyphenyl)-3-oxopropanamide;tungsten (CID 155694701) is N-(3-methoxyphenyl)-3-oxopropanamide;tungsten.
What is the SMILES notation for N-(3-methoxyphenyl)-3-oxopropanamide;tungsten?
The canonical SMILES for N-(3-methoxyphenyl)-3-oxopropanamide;tungsten is COc1cccc(NC(=O)C[C-]=O)c1.[W].
What is the InChIKey of N-(3-methoxyphenyl)-3-oxopropanamide;tungsten?
The InChIKey is XUXFDINEUDFWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO3.W/c1-14-9-4-2-3-8(7-9)11-10(13)5-6-12;/h2-4,7H,5H2,1H3,(H,11,13);/q-1;.
What are the key properties of N-(3-methoxyphenyl)-3-oxopropanamide;tungsten?
N-(3-methoxyphenyl)-3-oxopropanamide;tungsten has a molecular weight of 376.03 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-oxopropanamide;tungsten is sourced from PubChem (CID 155694701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).