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Chemical ID: 7257039
Chemical ID:
7257039
Name [?]:
N-(2,6-diisopropylphenyl)-2-(2-hydroxy-2-phenyl-ethyl)amino-acetamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)CNCC(c2ccccc2)O)C(C)C
InChi [?]:
InChI=1/C22H30N2O2/c1-15(2)18-11-8-12-19(16(3)4)22(18)24-21(26)14-23-13-20(25)17-9-6-5-7-10-17/h5-12,15-16,20,23,25H,13-14H2,1-4H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,20,19,21,6,18,22,5,7,15,13,2,24,17,4,8,16,11,9,14,10,23,12/E:(1,2,3,4)(6,7)(9,10)(11,12)(15,16)(18,19)/rA:26cCCCCCCCCCNCOCNCCCCCCCCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s16;s8;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O2 |
All Atoms: | 56 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5746 |
Area: | 606.788 |
Solvation: | -4.59513 |
Coulombic: | -48.1557 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.486 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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