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Chemical ID: 6970136
Chemical ID:
6970136
Name [?]:
N-(4-diethylaminophenyl)-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
CCN(CC)c1ccc(cc1)NC(=O)COc2cc(ccc2C(C)C)C
InChi [?]:
InChI=1/C22H30N2O2/c1-6-24(7-2)19-11-9-18(10-12-19)23-22(25)15-26-21-14-17(5)8-13-20(21)16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,24,25,26,2,4,20,8,10,7,11,21,18,15,23,19,9,6,22,17,13,12,3,14,16/E:(1,2)(3,4)(6,7)(9,10)(11,12)/rA:26nCCNCCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O2 |
All Atoms: | 56 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0971 |
Area: | 614.462 |
Solvation: | -4.26442 |
Coulombic: | -35.4776 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.36 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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