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Chemical ID: 4488444
Chemical ID:
4488444
Name [?]:
N-(4-diethylamino-2-methyl-phenyl)-4-ethoxy-benzamide
SMILES [?]:
CCN(CC)c1ccc(c(c1)C)NC(=O)c2ccc(cc2)OCC
InChi [?]:
InChI=1/C20H26N2O2/c1-5-22(6-2)17-10-13-19(15(4)14-17)21-20(23)16-8-11-18(12-9-16)24-7-3/h8-14H,5-7H2,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,24,12,2,4,23,17,21,7,18,20,8,11,10,16,6,19,9,14,13,3,15,22/E:(1,2)(5,6)(8,9)(11,12)/rA:24nCCNCCCCCCCCCNCOCCCCCCOCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s9;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9 |
Area: | 568.595 |
Solvation: | -3.31488 |
Coulombic: | -35.8003 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.61 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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