Chemical ID: 5901720

CCC(CC)C(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)C(CC)c3ccccc3
Chemical ID:
5901720
Name [?]:
N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-2-phenyl-butanamide
SMILES [?]:
CCC(CC)C(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)C(CC)c3ccccc3
InChi [?]:
InChI=1/C26H35N3O2/c1-4-20(5-2)26(31)29-18-16-28(17-19-29)23-14-12-22(13-15-23)27-25(30)24(6-3)21-10-8-7-9-11-21/h7-15,20,24H,4-6,16-19H2,1-3H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,5,25,2,4,24,29,28,30,27,31,16,18,15,19,10,12,9,13,3,26,17,14,23,21,6,20,11,8,22,7/E:(1,2)(4,5)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:31cCCCCCCONCCNCCCCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;s24;s23;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H35N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.8301
Area:674.44
Solvation:-4.03092
Coulombic:-44.8702
Bond Count [?]
All:33
Single:25
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:421.575
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.91
LogP (Chemaxon):5.53

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Descriptor Annotations

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