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Chemical ID: 4232751
Chemical ID:
4232751
Name [?]:
3,5-bis(3-methylbutanoylamino)-N-tert-butyl-benzamide
SMILES [?]:
CC(C)CC(=O)Nc1cc(cc(c1)NC(=O)CC(C)C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C21H33N3O3/c1-13(2)8-18(25)22-16-10-15(20(27)24-21(5,6)7)11-17(12-16)23-19(26)9-14(3)4/h10-14H,8-9H2,1-7H3,(H,22,25)(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,25,26,27,4,17,9,11,13,2,18,10,8,12,5,15,21,24,7,14,23,6,16,22/E:(1,2,3,4)(5,6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(22,23)(25,26)/gE:(1,2)/rA:27nCCCCCONCCCCCCNCOCCCCCONCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;s18;s18;s10;d21;s21;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H33N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0046 |
Area: | 638.149 |
Solvation: | -3.94911 |
Coulombic: | -60.9842 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.505 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.14 |
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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