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Chemical ID: 4564413
Chemical ID:
4564413
Name [?]:
N-[(2,2-dimethyltetrahydropyran-4-yl)methyl]-N-[3-(4-methoxyphenyl)-3-phenyl-propyl]-acetamide
SMILES [?]:
CC(=O)N(CCC(c1ccccc1)c2ccc(cc2)OC)CC3CCOC(C3)(C)C
InChi [?]:
InChI=1/C26H35NO3/c1-20(28)27(19-21-15-17-30-26(2,3)18-21)16-14-25(22-8-6-5-7-9-22)23-10-12-24(29-4)13-11-23/h5-13,21,25H,14-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,30,21,11,10,12,9,13,15,19,16,18,6,24,5,25,28,22,2,23,8,14,17,7,27,4,3,20,26/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:30cCCONCCCCCCCCCCCCCCCOCCCCCOCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s17;s20;s4;s22;s23;s24;s25;s26;s23s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H35NO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.2315 |
Area: | 657.415 |
Solvation: | -5.20387 |
Coulombic: | -32.9612 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 409.561 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.91 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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