Chemical ID: 5975999

CCCCC(=O)Nc1ccc(c(c1)C(=O)NCc2ccccc2)N(C)C
Chemical ID:
5975999
Name [?]:
N-benzyl-2-dimethylamino-5-pentanoylamino-benzamide
SMILES [?]:
CCCCC(=O)Nc1ccc(c(c1)C(=O)NCc2ccccc2)N(C)C
InChi [?]:
InChI=1/C21H27N3O2/c1-4-5-11-20(25)23-17-12-13-19(24(2)3)18(14-17)21(26)22-15-16-9-7-6-8-10-16/h6-10,12-14H,4-5,11,15H2,1-3H3,(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,3,21,20,22,19,23,4,9,10,13,17,18,8,12,11,5,14,16,7,24,6,15/E:(2,3)(7,8)(9,10)/rA:26nCCCCCONCCCCCCCONCCCCCCCNCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s11;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3438
Area:614.07
Solvation:-4.00799
Coulombic:-48.5312
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:353.458
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):3.73

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