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Chemical ID: 7475997
Chemical ID:
7475997
Name [?]:
2-[2-(4-ethylphenoxy)acetyl]amino-N-phenethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C25H26N2O3/c1-2-19-12-14-21(15-13-19)30-18-24(28)27-23-11-7-6-10-22(23)25(29)26-17-16-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,28,27,29,17,16,26,30,18,15,4,8,5,7,24,23,10,3,25,6,19,14,11,20,22,13,12,21,9/E:(4,5)(8,9)(12,13)(14,15)/rA:30nCCCCCCCCOCCONCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.309 |
Area: | 676.843 |
Solvation: | -4.61209 |
Coulombic: | -53.1948 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 402.486 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.28 |
LogP (Chemaxon): | 5.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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