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Chemical ID: 6645894
Chemical ID:
6645894
Name [?]:
N-(4-butanoylphenyl)-4-butoxy-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)CCC
InChi [?]:
InChI=1/C21H25NO3/c1-3-5-15-25-19-13-9-17(10-14-19)21(24)22-18-11-7-16(8-12-18)20(23)6-4-2/h7-14H,3-6,15H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,3,23,17,19,8,10,16,20,7,11,4,18,9,15,6,21,12,14,22,13,5/E:(7,8)(9,10)(11,12)(13,14)/rA:25nCCCCOCCCCCCCONCCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1373 |
Area: | 602.556 |
Solvation: | -3.92657 |
Coulombic: | -38.4391 |
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: | 4.92 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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