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Chemical ID: 5493134
Chemical ID:
5493134
Name [?]:
2-(3,4-dimethylphenyl)-N-(3,5-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)CC(=O)Nc2cc(cc(c2)C)C
InChi [?]:
InChI=1/C18H21NO/c1-12-7-13(2)9-17(8-12)19-18(20)11-16-6-5-14(3)15(4)10-16/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:19,20,1,8,3,4,16,18,14,6,9,17,15,2,7,5,13,10,12,11/E:(1,2)(8,9)(12,13)/rA:20nCCCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73019 |
Area: | 488.323 |
Solvation: | -2.47789 |
Coulombic: | -21.0394 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.55 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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