Chemical ID: 5902188

CC(C)CC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)CC(C)CC(C)(C)C
Chemical ID:
5902188
Name [?]:
3-methyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C24H39N3O2/c1-18(2)15-22(28)25-20-7-9-21(10-8-20)26-11-13-27(14-12-26)23(29)16-19(3)17-24(4,5)6/h7-10,18-19H,11-17H2,1-6H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,24,27,28,29,9,13,10,12,15,19,16,18,4,22,25,2,23,8,11,5,20,26,7,14,17,6,21/E:(1,2)(4,5,6)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCCCONCCCCCCNCCNCCCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;s23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H39N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.9476
Area:665.979
Solvation:-3.70186
Coulombic:-43.1871
Bond Count [?]
All:30
Single:25
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:401.585
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.83
LogP (Chemaxon):5.01

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Descriptor Annotations

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