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Chemical ID: 3991292
Chemical ID:
3991292
Name [?]:
N,N'-bis(p-tolyl)propanediamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CC(=O)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C17H18N2O2/c1-12-3-7-14(8-4-12)18-16(20)11-17(21)19-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,17,19,4,6,16,20,11,2,18,5,15,9,12,8,14,10,13/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)(14,15)(16,17)(18,19)(20,21)/gE:(1,2)/rA:21nCCCCCCCNCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80307 |
Area: | 494.43 |
Solvation: | -4.55768 |
Coulombic: | -38.1683 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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