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Chemical ID: 5785146
Chemical ID:
5785146
Name [?]:
N-isobutyl-N'-[[3-[(isobutylcarbamoylformyl)aminomethyl]phenyl]methyl]oxamide
SMILES [?]:
CC(C)CNC(=O)C(=O)NCc1cccc(c1)CNC(=O)C(=O)NCC(C)C
InChi [?]:
InChI=1/C20H30N4O4/c1-13(2)9-21-17(25)19(27)23-11-15-6-5-7-16(8-15)12-24-20(28)18(26)22-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,3,27,28,14,13,15,17,4,25,11,18,2,26,12,16,6,22,8,20,5,24,10,19,7,23,9,21/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)(3,4)/rA:28nCCCCNCOCONCCCCCCCCNCOCONCCCC/rB:s1;s2;s2;s4;s5;d6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s20;d22;s22;s24;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30N4O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.6051 |
Area: | 699.488 |
Solvation: | -2.88214 |
Coulombic: | -95.8875 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 390.477 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 1.34 |
LogP (Chemaxon): | 0.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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