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Chemical ID: 4385683
Chemical ID:
4385683
Name [?]:
3-benzamido-N-cyclohexyl-N-methyl-benzamide
SMILES [?]:
CN(C1CCCCC1)C(=O)c2cccc(c2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C21H24N2O2/c1-23(19-13-6-3-7-14-19)21(25)17-11-8-12-18(15-17)22-20(24)16-9-4-2-5-10-16/h2,4-5,8-12,15,19H,3,6-7,13-14H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,6,22,24,5,7,13,21,25,12,14,4,8,16,20,11,15,3,18,9,17,2,19,10/E:(4,5)(6,7)(9,10)(13,14)/rA:25nCNCCCCCCCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1777 |
Area: | 558.531 |
Solvation: | -2.78561 |
Coulombic: | -41.1626 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 336.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.37 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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