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CI 976

CAT: 0926-PEA28947-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-PEA28947-03Size:100 mg
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CAS Number
114289-47-3
MDL Number
MFCD00869662
Smiles
CCCCCCCCCCC (C) (C) C (=O) NC1=C (C=C (C=C1OC) OC) OC
Molecular Formula
C23H39NO4
Molecular Weight
393.56 g/mol
Controlled
No

Chemical Information

2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide

2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide is an anilide.

CAS Number114289-47-3
PubChem CID122327
IUPAC Name2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
Molecular FormulaC23H39NO4
Molecular Weight393.6
XLogP7.1
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count28
Formal Charge0
Complexity413
SMILES
CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC
InChI
InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
InChIKey
WAFNZAURAWBNDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
CAS: 114289-47-3
CID: 122327
Formula: C23H39NO4
MW: 393.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.6
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass393.28790873
Monoisotopic Mass393.28790873
Topological Polar Surface Area56.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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