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4-[(2R)-butan-2-yl]oxy-N-[2-[(2R)-butan-2-yl]phenyl]benzamide,Canonic

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摘 要: 4-[(2R)-butan-2-yl]oxy-N-[2-[(2R)-butan-2-yl]phenyl]benzamide,Canonical SMILES: CCC(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC(C)CC,Isomeric SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)O[C@H](C)CC,InChI: InChI=1/C21H27NO2/c1-5-15(3)19-9-7-8-10-20(19)22
[Synonyms]

[Structure]
 4-[(2R)-butan-2-yl]oxy-N-[2-[(2R)-butan-2-yl]phenyl]benzamide,Canonic

[ Properties Computed from Structure]
Molecular Weight325.44458 [g/mol]
Molecular FormulaC21H27NO2
XLogP5.9
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count7
Tautomer Count2
Exact Mass325.204179
MonoIsotopic Mass325.204179
Topological Polar Surface Area38.3
Heavy Atom Count24
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-[(2R)-butan-2-yl]oxy-N-[2-[(2R)-butan-2-yl]phenyl]benzamide
Canonical SMILES: CCC(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC(C)CC
Isomeric SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)O[C@H](C)CC
InChI: InChI=1/C21H27NO2/c1-5-15(3)19-9-7-8-10-20(19)22-21(23)17-11-13-18(14-
12-17)24-16(4)6-2/h7-16H,5-6H2,1-4H3,(H,22,23)/t15-,16-/m1/s1/f/h22H

 
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