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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
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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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