Chemical ID: 6970136

CCN(CC)c1ccc(cc1)NC(=O)COc2cc(ccc2C(C)C)C
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

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Descriptor Annotations

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