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Chemical ID: 7479818
Chemical ID:
7479818
Name [?]:
N-(4-acetylphenyl)-4-hexoxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)C
InChi [?]:
InChI=1/C21H25NO3/c1-3-4-5-6-15-25-20-13-9-18(10-14-20)21(24)22-19-11-7-17(8-12-19)16(2)23/h7-14H,3-6,15H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,4,5,19,21,10,12,18,22,9,13,6,23,20,11,17,8,14,16,24,15,7/E:(7,8)(9,10)(11,12)(13,14)/rA:25nCCCCCCOCCCCCCCONCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO3 |
All Atoms: | 50 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1835 |
Area: | 608.851 |
Solvation: | -4.03784 |
Coulombic: | -38.1012 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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