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Chemical ID: 7481430
Chemical ID:
7481430
Name [?]:
2-cyclohexylcarbonylamino-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2ccccc2NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C22H26N2O2/c1-16(17-10-4-2-5-11-17)23-22(26)19-14-8-9-15-20(19)24-21(25)18-12-6-3-7-13-18/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,6,24,5,7,23,25,14,15,4,8,22,26,13,16,2,3,21,12,17,19,10,9,18,20,11/E:(4,5)(6,7)(10,11)(12,13)/rA:26cCCCCCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O2 |
All Atoms: | 52 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9288 |
Area: | 575.456 |
Solvation: | -2.45765 |
Coulombic: | -45.539 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.454 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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