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Chemical ID: 7489216
Chemical ID:
7489216
Name [?]:
2-[2-(4-methoxyphenoxy)propanoylamino]-N-phenethyl-benzamide
SMILES [?]:
CC(C(=O)Nc1ccccc1C(=O)NCCc2ccccc2)Oc3ccc(cc3)OC
InChi [?]:
InChI=1/C25H26N2O4/c1-18(31-21-14-12-20(30-2)13-15-21)24(28)27-23-11-7-6-10-22(23)25(29)26-17-16-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,31,20,19,21,9,8,18,22,10,7,26,28,25,29,16,15,2,17,27,24,11,6,3,12,14,5,4,13,30,23/E:(4,5)(8,9)(12,13)(14,15)/rA:31cCCCONCCCCCCCONCCCCCCCCOCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s2;s23;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O4 |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5541 |
Area: | 686.451 |
Solvation: | -5.60715 |
Coulombic: | -60.1916 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.485 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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