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Chemical ID: 5553408
Chemical ID:
5553408
Name [?]:
3-(benzyl-ethyl-amino)-N-(2,5-dimethylphenyl)-propanamide
SMILES [?]:
CCN(CCC(=O)Nc1cc(ccc1C)C)Cc2ccccc2
InChi [?]:
InChI=1/C20H26N2O/c1-4-22(15-18-8-6-5-7-9-18)13-12-20(23)21-19-14-16(2)10-11-17(19)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,15,2,21,20,22,19,23,12,13,5,4,10,17,11,14,18,9,6,8,3,7/E:(6,7)(8,9)/rA:23cCCNCCCONCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s11;s3;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4201 |
Area: | 555.012 |
Solvation: | -2.45518 |
Coulombic: | -27.2226 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 310.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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