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Chemical ID: 6147849
Chemical ID:
6147849
Name [?]:
N-(2-butoxyphenyl)-4-(4-chloro-3,5-dimethyl-phenoxy)-butanamide
SMILES [?]:
CCCCOc1ccccc1NC(=O)CCCOc2cc(c(c(c2)C)Cl)C
InChi [?]:
InChI=1/C22H28ClNO3/c1-4-5-12-27-20-10-7-6-9-19(20)24-21(25)11-8-13-26-18-14-16(2)22(23)17(3)15-18/h6-7,9-10,14-15H,4-5,8,11-13H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,25,27,2,3,9,8,16,10,7,15,4,17,24,20,23,21,19,11,6,13,22,26,12,14,18,5/E:(2,3)(14,15)(16,17)/rA:27nCCCCOCCCCCCNCOCCCOCCCCCCCClC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s23;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28ClNO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2 |
Area: | 661.446 |
Solvation: | -4.33613 |
Coulombic: | -37.1171 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.915 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.53 |
LogP (Chemaxon): | 5.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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