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Chemical ID: 7260701
Chemical ID:
7260701
Name [?]:
N-(2-cyanophenyl)-2-(methyl-(p-tolylmethyl)amino)-acetamide
SMILES [?]:
Cc1ccc(cc1)CN(C)CC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C18H19N3O/c1-14-7-9-15(10-8-14)12-21(2)13-18(22)20-17-6-4-3-5-16(17)11-19/h3-10H,12-13H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,19,16,3,7,4,6,21,8,11,2,5,20,15,12,22,14,9,13/E:(7,8)(9,10)/rA:22cCCCCCCCCNCCCONCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.88553 |
Area: | 524.058 |
Solvation: | -3.21591 |
Coulombic: | -30.4159 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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