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Chemical ID: 6934007
Chemical ID:
6934007
Name [?]:
4-acetamido-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)NCCc2ccc(cc2)OC
InChi [?]:
InChI=1/C18H20N2O3/c1-13(21)20-16-7-5-15(6-8-16)18(22)19-12-11-14-3-9-17(23-2)10-4-14/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,17,21,7,9,6,10,18,20,15,14,2,16,8,5,19,11,13,4,3,12,22/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCONCCCCCCCONCCCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13202 |
Area: | 552.653 |
Solvation: | -4.6843 |
Coulombic: | -48.7868 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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