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Chemical ID: 5873721
Chemical ID:
5873721
Name [?]:
N-[1-(3,3-diphenylpropylcarbamoyl)ethyl]-2-phenyl-butanamide
SMILES [?]:
CCC(c1ccccc1)C(=O)NC(C)C(=O)NCCC(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C28H32N2O2/c1-3-25(22-13-7-4-8-14-22)28(32)30-21(2)27(31)29-20-19-26(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21,25-26H,3,19-20H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,14,2,7,24,30,6,8,23,25,29,31,5,9,22,26,28,32,19,18,13,4,21,27,3,20,15,10,17,12,16,11/E:(5,6)(7,8)(9,10,11,12)(13,14)(15,16,17,18)(23,24)/rA:32cCCCCCCCCCCONCCCONCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s13;d15;s15;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s20;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N2O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 14.3792 |
Area: | 716.849 |
Solvation: | -3.54197 |
Coulombic: | -47.6823 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 428.566 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.44 |
LogP (Chemaxon): | 5.45 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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