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Chemical ID: 5892380
Chemical ID:
5892380
Name [?]:
3,5,5-trimethyl-N-(4-pyrrolidin-1-yl-3-pyrrolidin-1-ylcarbonyl-phenyl)-hexanamide
SMILES [?]:
CC(CC(=O)Nc1ccc(c(c1)C(=O)N2CCCC2)N3CCCC3)CC(C)(C)C
InChi [?]:
InChI=1/C24H37N3O2/c1-18(17-24(2,3)4)15-22(28)25-19-9-10-21(26-11-5-6-12-26)20(16-19)23(29)27-13-7-8-14-27/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,22,23,17,18,8,9,21,24,16,19,3,12,25,2,7,11,10,4,13,26,6,20,15,5,14/E:(2,3,4)(5,6)(7,8)(11,12)(13,14)/rA:29cCCCCONCCCCCCCONCCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s16;s17;s15s18;s10;s20;s21;s22;s20s23;s2;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H37N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2348 |
Area: | 641.524 |
Solvation: | -3.80329 |
Coulombic: | -43.4463 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 399.57 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.63 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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