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Chemical ID: 7486025
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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