Chemical ID: 5902168

CCCCC(CC)C(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)CC(C)CC(C)(C)C
Chemical ID:
5902168
Name [?]:
2-ethyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C27H45N3O2/c1-7-9-10-22(8-2)26(32)28-23-11-13-24(14-12-23)29-15-17-30(18-16-29)25(31)19-21(3)20-27(4,5)6/h11-14,21-22H,7-10,15-20H2,1-6H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,7,27,30,31,32,2,6,3,4,12,16,13,15,18,22,19,21,25,28,26,5,11,14,23,8,29,10,17,20,24,9/E:(4,5,6)(11,12)(13,14)(15,16)(17,18)/rA:32cCCCCCCCCONCCCCCCNCCNCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;s20;s17s21;s20;d23;s23;s25;s26;s26;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H45N3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:14.7919
Area:739.964
Solvation:-3.70719
Coulombic:-44.4485
Bond Count [?]
All:33
Single:28
Double:5
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:443.665
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.27
LogP (Chemaxon):6.43

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Descriptor Annotations

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