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Chemical ID: 6033165
Chemical ID:
6033165
Name [?]:
N-[2-[(1-benzyl-4-piperidyl)carbamoyl]ethyl]-N-isopropyl-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)NC2CCN(CC2)Cc3ccccc3)C(C)C
InChi [?]:
InChI=1/C25H35N3O3/c1-18(2)28(25(30)23-16-19(3)31-20(23)4)15-12-24(29)26-22-10-13-27(14-11-22)17-21-8-6-5-7-9-21/h5-9,16,18,22H,10-15,17H2,1-4H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:30,31,1,7,26,25,27,24,28,17,21,12,18,20,11,3,22,29,2,5,23,16,4,13,8,15,19,10,14,9,6/E:(1,2)(6,7)(8,9)(10,11)(13,14)/rA:31nCCCCCOCCONCCCONCCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;s10;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H35N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1407 |
Area: | 696.552 |
Solvation: | -4.27313 |
Coulombic: | -49.4496 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 425.564 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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