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Chemical ID: 7263794
Chemical ID:
7263794
Name [?]:
N-[4-(phenethylcarbamoylmethoxy)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)OCC(=O)NCCc2ccccc2
InChi [?]:
InChI=1/C18H20N2O3/c1-14(21)20-16-7-9-17(10-8-16)23-13-18(22)19-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,6,10,7,9,17,16,12,2,18,5,8,13,15,4,3,14,11/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCONCCCCCCOCCONCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6536 |
Area: | 559.169 |
Solvation: | -5.32563 |
Coulombic: | -48.2631 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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