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Chemical ID: 5893069
Chemical ID:
5893069
Name [?]:
N-[3-(3-ethoxypropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3,5,5-trimethyl-hexanamide
SMILES [?]:
CCOCCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C25H41N3O3/c1-6-31-15-9-12-26-24(30)21-17-20(10-11-22(21)28-13-7-8-14-28)27-23(29)16-19(2)18-25(3,4)5/h10-11,17,19H,6-9,12-16,18H2,1-5H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,26,29,30,31,2,18,19,5,13,14,6,17,20,4,24,11,27,25,12,10,15,22,8,28,7,21,16,23,9,3/E:(3,4,5)(7,8)(13,14)/rA:31cCCOCCCNCOCCCCCCNCCCCNCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;s12;s21;d22;s22;s24;s25;s25;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H41N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9374 |
Area: | 724.772 |
Solvation: | -5.18191 |
Coulombic: | -55.5132 |
Bond Count [?]
All: | 32 |
Single: | 27 |
Double: | 5 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 431.611 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.57 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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