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Chemical ID: 7020112
Chemical ID:
7020112
Name [?]:
N-[acetamido-(4-butoxyphenyl)-methyl]acetamide
SMILES [?]:
CCCCOc1ccc(cc1)C(NC(=O)C)NC(=O)C
InChi [?]:
InChI=1/C15H22N2O3/c1-4-5-10-20-14-8-6-13(7-9-14)15(16-11(2)18)17-12(3)19/h6-9,15H,4-5,10H2,1-3H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,20,2,3,8,10,7,11,4,14,18,9,6,12,13,17,15,19,5/E:(2,3)(6,7)(8,9)(11,12)(16,17)(18,19)/gE:(1,2)/rA:20nCCCCOCCCCCCCNCOCNCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s12;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 42 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91457 |
Area: | 511.264 |
Solvation: | -4.86703 |
Coulombic: | -46.9104 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.42 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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