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Chemical ID: 5802153
Chemical ID:
5802153
Name [?]:
N-[(4-benzyloxy-3-ethoxy-phenyl)-(2-phenylacetyl)amino-methyl]-2-phenyl-acetamide
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C(NC(=O)Cc3ccccc3)NC(=O)Cc4ccccc4
InChi [?]:
InChI=1/C32H32N2O4/c1-2-37-29-22-27(18-19-28(29)38-23-26-16-10-5-11-17-26)32(33-30(35)20-24-12-6-3-7-13-24)34-31(36)21-25-14-8-4-9-15-25/h3-19,22,32H,2,20-21,23H2,1H3,(H,33,35)(H,34,36)
InChi Info:
AuxInfo=1/1/N:1,2,26,36,15,25,27,35,37,14,16,24,28,34,38,13,17,7,8,22,32,5,11,23,33,12,6,9,4,20,30,18,19,29,21,31,3,10/E:(3,4)(6,7,8,9)(10,11)(12,13,14,15)(16,17)(20,21)(24,25)(30,31)(33,34)(35,36)/gE:(1,2)/rA:38nCCOCCCCCCOCCCCCCCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s6;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s18;s29;d30;s30;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H32N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8714 |
Area: | 815.325 |
Solvation: | -8.51176 |
Coulombic: | -58.147 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 508.608 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.91 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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