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Chemical ID: 6006825
Chemical ID:
6006825
Name [?]:
N-benzyl-2-ethyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(Cc1ccccc1)CC(=O)NCC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C26H35N3O4/c1-4-6-12-21(5-2)26(32)29(18-20-10-8-7-9-11-20)19-25(31)27-17-24(30)28-22-13-15-23(33-3)16-14-22/h7-11,13-16,21H,4-6,12,17-19H2,1-3H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,7,33,2,6,3,15,14,16,13,17,4,27,31,28,30,22,11,18,12,5,26,29,23,19,8,21,25,10,24,20,9,32/E:(8,9)(10,11)(13,14)(15,16)/rA:33cCCCCCCCCONCCCCCCCCCONCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s19;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H35N3O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8293 |
Area: | 741.962 |
Solvation: | -5.71978 |
Coulombic: | -66.6167 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 453.574 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.77 |
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.
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