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Chemical ID: 6548836
Chemical ID:
6548836
Name [?]:
N-[4-(1-adamantyl)phenyl]-2-(4-phenoxyphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)OCC(=O)Nc3ccc(cc3)C45CC6CC(C4)CC(C6)C5
InChi [?]:
InChI=1/C30H31NO3/c32-29(20-33-26-10-12-28(13-11-26)34-27-4-2-1-3-5-27)31-25-8-6-24(7-9-25)30-17-21-14-22(18-30)16-23(15-21)19-30/h1-13,21-23H,14-20H2,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,23,20,24,10,12,9,13,28,31,33,30,26,34,15,29,27,32,22,19,11,4,8,16,25,18,17,14,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15,16)(17,18,19)(21,22,23)/rA:34nCCCCCCOCCCCCCOCCONCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;s28;s25s29;s29;s31;s27s32;s25s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H31NO3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1644 |
Area: | 685.507 |
Solvation: | -4.97328 |
Coulombic: | -38.4805 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 453.572 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.13 |
LogP (Chemaxon): | 6.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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