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Chemical ID: 5524101
Chemical ID:
5524101
Name [?]:
N-(4-butylphenyl)-2-(3-methylphenoxy)-propanamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)C(C)Oc2cccc(c2)C
InChi [?]:
InChI=1/C20H25NO2/c1-4-5-8-17-10-12-18(13-11-17)21-20(22)16(3)23-19-9-6-7-15(2)14-19/h6-7,9-14,16H,4-5,8H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,15,2,3,19,20,4,18,6,10,7,9,22,21,14,5,8,17,12,11,13,16/E:(10,11)(12,13)/rA:23cCCCCCCCCCCNCOCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5979 |
Area: | 563.585 |
Solvation: | -3.4917 |
Coulombic: | -31.2189 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.68 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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