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Chemical ID: 4243280
Chemical ID:
4243280
Name [?]:
N-(2,2-dimethyltetrahydropyran-4-yl)-3-(4-isopropoxyphenyl)-3-phenyl-propanamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(CC(=O)NC2CCOC(C2)(C)C)c3ccccc3
InChi [?]:
InChI=1/C25H33NO3/c1-18(2)29-22-12-10-20(11-13-22)23(19-8-6-5-7-9-19)16-24(27)26-21-14-15-28-25(3,4)17-21/h5-13,18,21,23H,14-17H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,27,26,28,25,29,7,9,6,10,17,18,12,21,2,24,8,16,5,11,13,20,15,14,19,4/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:29cCCCOCCCCCCCCCONCCCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s20;s20;s11;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H33NO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.3128 |
Area: | 644.706 |
Solvation: | -4.80489 |
Coulombic: | -37.8689 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 395.534 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.93 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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