Chemical ID: 5901768

CCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)CC(C)(C)C
Chemical ID:
5901768
Name [?]:
3,3-dimethyl-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-butanamide
SMILES [?]:
CCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)CC(C)(C)C
InChi [?]:
InChI=1/C21H33N3O2/c1-5-6-7-20(26)24-14-12-23(13-15-24)18-10-8-17(9-11-18)22-19(25)16-21(2,3)4/h8-11H,5-7,12-16H2,1-4H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,2,3,4,15,17,14,18,9,11,8,12,22,16,13,20,5,23,19,10,7,21,6/E:(2,3,4)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCONCCNCCCCCCCCNCOCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H33N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5721
Area:610.33
Solvation:-3.6861
Coulombic:-42.4269
Bond Count [?]
All:27
Single:22
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:359.506
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.24
LogP (Chemaxon):3.95

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