Chemical ID: 6645894

CCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)CCC
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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