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Chemical ID: 6429402
Chemical ID:
6429402
Name [?]:
N-[1-(benzylideneaminocarbamoyl)-2-methyl-propyl]benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccccc1)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C19H21N3O2/c1-14(2)17(21-18(23)16-11-7-4-8-12-16)19(24)22-20-13-15-9-5-3-6-10-15/h3-14,17H,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,13,22,12,14,21,23,11,15,20,24,9,2,10,19,4,17,5,8,16,7,18,6/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:24cCCCCCONNCCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.334 |
Area: | 550.694 |
Solvation: | -3.43335 |
Coulombic: | -44.0127 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 323.389 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.35 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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