Chemical ID: 6147849

CCCCOc1ccccc1NC(=O)CCCOc2cc(c(c(c2)C)Cl)C
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

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