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Chemical ID: 5975996
Chemical ID:
5975996
Name [?]:
N-cyclohexyl-2-dimethylamino-5-(4-hexylbenzoyl)amino-benzamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NC3CCCCC3)N(C)C
InChi [?]:
InChI=1/C28H39N3O2/c1-4-5-6-8-11-21-14-16-22(17-15-21)27(32)30-24-18-19-26(31(2)3)25(20-24)28(33)29-23-12-9-7-10-13-23/h14-20,23H,4-13H2,1-3H3,(H,29,33)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,32,33,2,3,4,28,5,27,29,6,26,30,8,12,9,11,17,18,21,7,10,25,16,20,19,13,22,24,15,31,14,23/E:(2,3)(9,10)(12,13)(14,15)(16,17)/rA:33nCCCCCCCCCCCCCONCCCCCCCONCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s24;s25;s26;s27;s28;s25s29;s19;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H39N3O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.1236 |
Area: | 753.924 |
Solvation: | -3.72451 |
Coulombic: | -51.4857 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 449.628 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.61 |
LogP (Chemaxon): | 6.3 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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