Chemical ID: 7486025

CCCCOc1ccc(cc1)NC(=O)COc2ccccc2C(C)C
Chemical ID:
7486025
Name [?]:
N-(4-butoxyphenyl)-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CCCCOc1ccc(cc1)NC(=O)COc2ccccc2C(C)C
InChi [?]:
InChI=1/C21H27NO3/c1-4-5-14-24-18-12-10-17(11-13-18)22-21(23)15-25-20-9-7-6-8-19(20)16(2)3/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,3,20,19,21,18,8,10,7,11,4,15,23,9,6,22,17,13,12,14,5,16/E:(2,3)(10,11)(12,13)/rA:25nCCCCOCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27NO3
All Atoms:52
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1282
Area:603.192
Solvation:-4.9516
Coulombic:-37.4086
Bond Count [?]
All:26
Single:19
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.444
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.13
LogP (Chemaxon):5.02

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Experimental Annotations

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Descriptor Annotations

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