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Chemical ID: 4160381
Chemical ID:
4160381
Name [?]:
N-(2,6-diethylphenyl)-4-(2,4-dimethylphenoxy)-butanamide
SMILES [?]:
CCc1cccc(c1NC(=O)CCCOc2ccc(cc2C)C)CC
InChi [?]:
InChI=1/C22H29NO2/c1-5-18-9-7-10-19(6-2)22(18)23-21(24)11-8-14-25-20-13-12-16(3)15-17(20)4/h7,9-10,12-13,15H,5-6,8,11,14H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,23,22,2,24,5,13,4,6,12,18,17,14,20,19,21,3,7,16,10,8,9,11,15/E:(1,2)(5,6)(9,10)(18,19)/rA:25nCCCCCCCCNCOCCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s7;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2301 |
Area: | 597.668 |
Solvation: | -3.71164 |
Coulombic: | -28.7143 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.471 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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