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Chemical ID: 7479982
Chemical ID:
7479982
Name [?]:
N-(2,6-dimethylphenyl)-4-hexoxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)Nc2c(cccc2C)C
InChi [?]:
InChI=1/C21H27NO2/c1-4-5-6-7-15-24-19-13-11-18(12-14-19)21(23)22-20-16(2)9-8-10-17(20)3/h8-14H,4-7,15H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,3,4,5,20,21,19,10,12,9,13,6,22,18,11,8,17,14,16,15,7/E:(2,3)(9,10)(11,12)(13,14)(16,17)/rA:24nCCCCCCOCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO2 |
All Atoms: | 51 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.59 |
Area: | 583.393 |
Solvation: | -2.99482 |
Coulombic: | -31.2766 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 325.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.85 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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