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Chemical ID: 4571601
Chemical ID:
4571601
Name [?]:
4-methoxy-N-[3-(4-methoxyphenyl)-4-methyl-pentyl]-benzamide
SMILES [?]:
CC(C)C(CCNC(=O)c1ccc(cc1)OC)c2ccc(cc2)OC
InChi [?]:
InChI=1/C21H27NO3/c1-15(2)20(16-5-9-18(24-3)10-6-16)13-14-22-21(23)17-7-11-19(25-4)12-8-17/h5-12,15,20H,13-14H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,25,17,19,23,11,15,20,22,12,14,5,6,2,18,10,21,13,4,8,7,9,24,16/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:25cCCCCCCNCOCCCCCCOCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s4;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2503 |
Area: | 592.492 |
Solvation: | -4.56202 |
Coulombic: | -38.6699 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.06 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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