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Chemical ID: 7025131
Chemical ID:
7025131
Name [?]:
N,N-dibenzyl-4-butoxy-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)N(Cc2ccccc2)Cc3ccccc3
InChi [?]:
InChI=1/C25H27NO2/c1-2-3-18-28-24-16-14-23(15-17-24)25(27)26(19-21-10-6-4-7-11-21)20-22-12-8-5-9-13-22/h4-17H,2-3,18-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,19,26,18,20,25,27,17,21,24,28,8,10,7,11,4,15,22,16,23,9,6,12,14,13,5/E:(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(19,20)(21,22)/rA:28nCCCCOCCCCCCCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s14;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO2 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2503 |
Area: | 620.457 |
Solvation: | -3.26117 |
Coulombic: | -29.713 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 373.487 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.25 |
LogP (Chemaxon): | 5.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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