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Chemical ID: 4276257
Chemical ID:
4276257
Name [?]:
N-[4-(4-butanoylaminophenyl)phenyl]butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cc1)c2ccc(cc2)NC(=O)CCC
InChi [?]:
InChI=1/C20H24N2O2/c1-3-5-19(23)21-17-11-7-15(8-12-17)16-9-13-18(14-10-16)22-20(24)6-4-2/h7-14H,3-6H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,3,22,9,11,14,18,8,12,15,17,10,13,7,16,4,20,6,19,5,21/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCCCCONCCCCCCCCCCCCNCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9636 |
Area: | 577.792 |
Solvation: | -3.48117 |
Coulombic: | -40.9673 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.69 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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