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Chemical ID: 6320996
Chemical ID:
6320996
Name [?]:
3-(benzyl-ethyl-amino)-N-(p-tolyl)propanamide
SMILES [?]:
CCN(CCC(=O)Nc1ccc(cc1)C)Cc2ccccc2
InChi [?]:
InChI=1/C19H24N2O/c1-3-21(15-17-7-5-4-6-8-17)14-13-19(22)20-18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,2,20,19,21,18,22,11,13,10,14,5,4,16,12,17,9,6,8,3,7/E:(5,6)(7,8)(9,10)(11,12)/rA:22cCCNCCCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s3;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9158 |
Area: | 537.145 |
Solvation: | -2.51278 |
Coulombic: | -27.2185 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 296.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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