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Chemical ID: 4136251
Chemical ID:
4136251
Name [?]:
N-[(2-methoxyphenyl)methyleneaminocarbamoylmethyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)NCC(=O)NN=Cc2ccccc2OC
InChi [?]:
InChI=1/C18H19N3O3/c1-13-7-3-5-9-15(13)18(23)19-12-17(22)21-20-11-14-8-4-6-10-16(14)24-2/h3-11H,12H2,1-2H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,4,19,5,20,3,18,6,21,16,11,2,17,7,22,12,8,10,15,14,13,9,23/rA:24nCCCCCCCCONCCONNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94213 |
Area: | 551.062 |
Solvation: | -4.83443 |
Coulombic: | -49.0496 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 325.362 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.52 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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