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Chemical ID: 7304236
Chemical ID:
7304236
Name [?]:
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1OCC)C(C)NC(=O)COc2cc(ccc2C)C
InChi [?]:
InChI=1/C22H29NO4/c1-6-25-19-11-10-18(13-21(19)26-7-2)17(5)23-22(24)14-27-20-12-15(3)8-9-16(20)4/h8-13,17H,6-7,14H2,1-5H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,27,26,14,2,11,23,24,6,5,21,8,18,22,25,13,7,4,20,9,16,15,17,3,10,19/rA:27cCCOCCCCCCOCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO4 |
All Atoms: | 56 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.88203 |
Area: | 641.855 |
Solvation: | -7.16435 |
Coulombic: | -43.5054 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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