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Chemical ID: 7486339
Chemical ID:
7486339
Name [?]:
N-phenethyl-2-(2-phenoxypropanoylamino)benzamide
SMILES [?]:
CC(C(=O)Nc1ccccc1C(=O)NCCc2ccccc2)Oc3ccccc3
InChi [?]:
InChI=1/C24H24N2O3/c1-18(29-20-12-6-3-7-13-20)23(27)26-22-15-9-8-14-21(22)24(28)25-17-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,20,27,19,21,26,28,9,8,18,22,25,29,10,7,16,15,2,17,24,11,6,3,12,14,5,4,13,23/E:(4,5)(6,7)(10,11)(12,13)/rA:29cCCCONCCCCCCCONCCCCCCCCOCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9766 |
Area: | 648.712 |
Solvation: | -4.24122 |
Coulombic: | -54.2232 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.9 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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