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Chemical ID: 4181303
Chemical ID:
4181303
Name [?]:
3,5-bis(2,2-dimethylpropanoylamino)-N-phenyl-benzamide
SMILES [?]:
CC(C)(C)C(=O)Nc1cc(cc(c1)NC(=O)C(C)(C)C)C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C23H29N3O3/c1-22(2,3)20(28)25-17-12-15(19(27)24-16-10-8-7-9-11-16)13-18(14-17)26-21(29)23(4,5)6/h7-14H,1-6H3,(H,24,27)(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,19,20,27,26,28,25,29,9,11,13,10,24,8,12,21,5,15,2,17,23,7,14,22,6,16/E:(1,2,3,4,5,6)(8,9)(10,11)(12,13)(17,18)(20,21)(22,23)(25,26)(28,29)/gE:(2,3)/rA:29nCCCCCONCCCCCCNCOCCCCCONCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;s17;s17;s10;d21;s21;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1219 |
Area: | 647.239 |
Solvation: | -4.0591 |
Coulombic: | -62.6107 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 395.495 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.99 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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