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Chemical ID: 6934012
Chemical ID:
6934012
Name [?]:
4-diethylamino-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)NCCc2ccc(cc2)OC
InChi [?]:
InChI=1/C20H26N2O2/c1-4-22(5-2)18-10-8-17(9-11-18)20(23)21-15-14-16-6-12-19(24-3)13-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,24,2,4,18,22,8,10,7,11,19,21,16,15,17,9,6,20,12,14,3,13,23/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24nCCNCCCCCCCCCONCCCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O2 |
All Atoms: | 50 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9388 |
Area: | 582.847 |
Solvation: | -3.63239 |
Coulombic: | -36.9537 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 326.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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