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Chemical ID: 5900511
Chemical ID:
5900511
Name [?]:
6-amino-N-[1-(benzylcarbamoyl)-2-phenyl-ethyl]-hexanamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)NCc2ccccc2)NC(=O)CCCCCN
InChi [?]:
InChI=1/C22H29N3O2/c23-15-9-3-8-14-21(26)25-20(16-18-10-4-1-5-11-18)22(27)24-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17,23H2,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,16,24,2,6,15,17,23,25,3,5,14,18,22,26,7,12,4,13,8,20,9,27,11,19,21,10/E:(4,5)(6,7)(10,11)(12,13)/rA:27cCCCCCCCCCONCCCCCCCNCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s8;s19;d20;s20;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2433 |
Area: | 630.307 |
Solvation: | -3.51441 |
Coulombic: | -56.7464 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 367.485 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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