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Chemical ID: 6379658
Chemical ID:
6379658
Name [?]:
N,N-diisobutyl-4-phenyl-benzamide
SMILES [?]:
CC(C)CN(CC(C)C)C(=O)c1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C21H27NO/c1-16(2)14-22(15-17(3)4)21(23)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16-17H,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,21,20,22,19,23,14,16,13,17,4,6,2,7,18,15,12,10,5,11/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:23nCCCCNCCCCCOCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5084 |
Area: | 529.241 |
Solvation: | -1.72266 |
Coulombic: | -21.9249 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 309.445 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.66 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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