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Repaglinide Impurity IV

CAT: 1596-AR-R01351-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R01351-02Size:25 Units
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CAS Number
646054-50-4
Synonyms
1-cyclohexyl-3- (3-methyl-1- (2- (piperidin-1-yl) phenyl) butyl) urea
Molecular Formula
C23H37N3O
Molecular Weight
371.57
API Name
Repaglinide

Chemical Information

N-Cyclohexyl-N'-{3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}urea
CAS Number646054-50-4
PubChem CID71379516
IUPAC Name1-cyclohexyl-3-[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]urea
Molecular FormulaC23H37N3O
Molecular Weight371.6
XLogP5.4
Topological Polar Surface Area44.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity441
SMILES
CC(C)CC(C1=CC=CC=C1N2CCCCC2)NC(=O)NC3CCCCC3
InChI
InChI=1S/C23H37N3O/c1-18(2)17-21(25-23(27)24-19-11-5-3-6-12-19)20-13-7-8-14-22(20)26-15-9-4-10-16-26/h7-8,13-14,18-19,21H,3-6,9-12,15-17H2,1-2H3,(H2,24,25,27)
InChIKey
PBSRNHNAAAXMQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Cyclohexyl-N'-{3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}urea
CAS: 646054-50-4
CID: 71379516
Formula: C23H37N3O
MW: 371.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.6
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass371.293662812
Monoisotopic Mass371.293662812
Topological Polar Surface Area44.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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