Propanamide, 3,(3,4-dimethylphenylephrine)

Propanamide, 3,(3,4-dimethylphenylephrine)
Compound Structure:
Synonyms: 3-[(3,4-Dimethylphenyl)sulfonyl]propanamide; Propanamide, 3-(3,4-dimethylphenylsulfonyl)- ; AKOS026676328 ;EU-0067435
Compound ID: NMPC-1431
PubChem ID:

541768
Molecular Formula: C11H15NO3S
Canonical SMILES: CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)N)C
InChIKey: WWONOIWVIJYSMC-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

241.31 g/mol

XLogP3-AA

0.7

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

4

Exact Mass

241.07726451 g/mol

Monoisotopic Mass

241.07726451 g/mol

Topological Polar Surface Area

85.6Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

345

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                                                    
Source Species: Rauvolfia vomitoria
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