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ML188

CAT: 0127-BUP04657-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04657-04Size:25 mg
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CAS Number
1417700-13-0
Purity
=98%
Smiles
CC(C)(C)NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1

Chemical Information

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide

N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-2-furancarboxamide is a member of furans and an aromatic amide.

CAS Number1417700-13-0
PubChem CID46897844
IUPAC NameN-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
Molecular FormulaC26H31N3O3
Molecular Weight433.5
XLogP5
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity644
SMILES
CC(C)(C)C1=CC=C(C=C1)N([C@H](C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CO3
InChI
InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1
InChIKey
JXGIYKRRPGCLFV-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of (R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CAS: 1417700-13-0
CID: 46897844
Formula: C26H31N3O3
MW: 433.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass433.23654186
Monoisotopic Mass433.23654186
Topological Polar Surface Area75.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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