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Chemical ID: 5892115
Chemical ID:
5892115
Name [?]:
5-(3,3-dimethylbutanoylamino)-2-(1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCCC3
InChi [?]:
InChI=1/C23H35N3O3/c1-23(2,3)15-21(27)25-17-9-10-20(26-11-5-4-6-12-26)19(14-17)22(28)24-16-18-8-7-13-29-18/h9-10,14,18H,4-8,11-13,15-16H2,1-3H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,4,27,26,28,21,20,10,11,25,29,22,14,5,18,9,19,13,12,6,15,2,17,8,24,7,16,23/E:(1,2,3)(5,6)(11,12)/rA:29cCCCCCCONCCCCCCCONCCCCCONCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;s20;s21;s19s22;s12;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H35N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.212 |
Area: | 646.824 |
Solvation: | -4.95864 |
Coulombic: | -54.9699 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 401.542 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.04 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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