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Chemical ID: 4719897
Chemical ID:
4719897
Name [?]:
2-(methoxyiminomethyl)-N'-methyl-N,N'-bis(m-tolyl)propanediamide
SMILES [?]:
Cc1cccc(c1)NC(=O)C(C=NOC)C(=O)N(C)c2cccc(c2)C
InChi [?]:
InChI=1/C20H23N3O3/c1-14-7-5-9-16(11-14)22-19(24)18(13-21-26-4)20(25)23(3)17-10-6-8-15(2)12-17/h5-13,18H,1-4H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,19,15,4,22,3,23,5,21,7,25,12,2,24,6,20,11,9,16,13,8,18,10,17,14/rA:26cCCCCCCCNCOCCNOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;w12;s13;s14;s11;d16;s16;s18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.88957 |
Area: | 580.497 |
Solvation: | -4.62286 |
Coulombic: | -39.0155 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 353.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.45 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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