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Chemical ID: 7038751
Chemical ID:
7038751
Name [?]:
N-[acetamido-(4-benzyloxyphenyl)-methyl]acetamide
SMILES [?]:
CC(=O)NC(c1ccc(cc1)OCc2ccccc2)NC(=O)C
InChi [?]:
InChI=1/C18H20N2O3/c1-13(21)19-18(20-14(2)22)16-8-10-17(11-9-16)23-12-15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,17,16,18,15,19,7,11,8,10,13,2,21,14,6,9,5,4,20,3,22,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(19,20)(21,22)/gE:(1,2)/rA:23nCCONCCCCCCCOCCCCCCCNCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s5;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2962 |
Area: | 543.794 |
Solvation: | -5.29864 |
Coulombic: | -47.9496 |
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: | 2.78 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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