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Chemical ID: 4484451
Chemical ID:
4484451
Name [?]:
N-(4-diethylamino-2-methyl-phenyl)-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2ccc(cc2C)N(CC)CC
InChi [?]:
InChI=1/C21H28N2O2/c1-5-14-25-19-11-8-17(9-12-19)21(24)22-20-13-10-18(15-16(20)4)23(6-2)7-3/h8-13,15H,5-7,14H2,1-4H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,25,20,2,22,24,7,9,16,6,10,15,3,18,19,8,17,5,14,11,13,21,12,4/E:(2,3)(6,7)(8,9)(11,12)/rA:25nCCCOCCCCCCCONCCCCCCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s21;s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5613 |
Area: | 594.145 |
Solvation: | -3.2923 |
Coulombic: | -36.2733 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 340.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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