Chemical ID: 5892961

CC(CC(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCC3)CC(C)(C)C
Chemical ID:
5892961
Name [?]:
3,5,5-trimethyl-N-[4-pyrrolidin-1-yl-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]-hexanamide
SMILES [?]:
CC(CC(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCC3)CC(C)(C)C
InChi [?]:
InChI=1/C25H39N3O3/c1-18(16-25(2,3)4)14-23(29)27-19-9-10-22(28-11-5-6-12-28)21(15-19)24(30)26-17-20-8-7-13-31-20/h9-10,15,18,20H,5-8,11-14,16-17H2,1-4H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,30,31,24,25,19,18,8,9,23,26,20,3,12,27,16,2,7,17,11,10,4,13,28,15,6,22,5,14,21/E:(2,3,4)(5,6)(11,12)/rA:31cCCCCONCCCCCCCONCCCCCONCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s16;s17;s18;s19;s17s20;s10;s22;s23;s24;s22s25;s2;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H39N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:12.3404
Area:695.494
Solvation:-5.04691
Coulombic:-55.5519
Bond Count [?]
All:33
Single:28
Double:5
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:429.596
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.33
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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