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Chemical ID: 7260710
Chemical ID:
7260710
Name [?]:
2-[(2-cyanophenyl)carbamoylmethyl-methyl-amino]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CN(C)CC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C19H20N4O2/c1-14-7-9-16(10-8-14)21-18(24)12-23(2)13-19(25)22-17-6-4-3-5-15(17)11-20/h3-10H,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,13,21,20,22,19,3,7,4,6,24,11,14,2,23,5,18,9,15,25,8,17,12,10,16/E:(7,8)(9,10)/rA:25cCCCCCCCNCOCNCCCONCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s12;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N4O2 |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.50718 |
Area: | 575.917 |
Solvation: | -4.89074 |
Coulombic: | -48.9501 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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