Chemical ID: 7025131

CCCCOc1ccc(cc1)C(=O)N(Cc2ccccc2)Cc3ccccc3
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue