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Lidocaine Impurity 46

CAT: 1299-RM-L040372-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L040372-01Size:10 mg
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CAS Number
1374010-02-2
Synonyms
2,2',2''-nitrilotris (N- (2,6-dimethylphenyl) acetamide)
Molecular Formula
C30H36N4O3
Molecular Weight
500.64
Target Alternative Name
Lidocaine
Product Name Synonym
2,2',2''-nitrilotris (N- (2,6-dimethylphenyl) acetamide)

Chemical Information

2,2',2''-Nitrilotris(N-(2,6-dimethylphenyl)acetamide)
CAS Number1374010-02-2
PubChem CID168434233
IUPAC Name2-[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,6-dimethylphenyl)acetamide
Molecular FormulaC30H36N4O3
Molecular Weight500.6
XLogP5.2
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity644
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(CC(=O)NC2=C(C=CC=C2C)C)CC(=O)NC3=C(C=CC=C3C)C
InChI
InChI=1S/C30H36N4O3/c1-19-10-7-11-20(2)28(19)31-25(35)16-34(17-26(36)32-29-21(3)12-8-13-22(29)4)18-27(37)33-30-23(5)14-9-15-24(30)6/h7-15H,16-18H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)
InChIKey
KCOMNDZKAUUNKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2',2''-Nitrilotris(N-(2,6-dimethylphenyl)acetamide)
CAS: 1374010-02-2
CID: 168434233
Formula: C30H36N4O3
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass500.27874102
Monoisotopic Mass500.27874102
Topological Polar Surface Area90.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity644
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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