Chemical ID: 5902671

CCCCC(CC)C(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)NCCCC
Chemical ID:
5902671
Name [?]:
4-[4-(2-ethylhexanoylamino)phenyl]-N,N-bis[4-[4-(2-ethylhexanoylamino)phenyl]piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)NCCCC
InChi [?]:
InChI=1/C23H38N4O2/c1-4-7-9-19(6-3)22(28)25-20-10-12-21(13-11-20)26-15-17-27(18-16-26)23(29)24-14-8-5-2/h10-13,19H,4-9,14-18H2,1-3H3,(H,24,29)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,29,7,2,28,6,3,27,4,12,16,13,15,26,18,22,19,21,5,11,14,8,23,25,10,17,20,9,24/E:(10,11)(12,13)(15,16)(17,18)/rA:29cCCCCCCCCONCCCCCCNCCNCCCONCCCC/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;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H38N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.8734
Area:698.023
Solvation:-3.57714
Coulombic:-58.2897
Bond Count [?]
All:30
Single:25
Double:5
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:402.574
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.73
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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