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Chemical ID: 4153807
Chemical ID:
4153807
Name [?]:
N-(o-tolyl)-4-(4-tert-butylphenoxy)-butanamide
SMILES [?]:
Cc1ccccc1NC(=O)CCCOc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C21H27NO2/c1-16-8-5-6-9-19(16)22-20(23)10-7-15-24-18-13-11-17(12-14-18)21(2,3)4/h5-6,8-9,11-14H,7,10,15H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,4,5,12,3,6,11,17,19,16,20,13,2,18,15,7,9,21,8,10,14/E:(2,3,4)(11,12)(13,14)/rA:24nCCCCCCCNCOCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7251 |
Area: | 574.126 |
Solvation: | -3.62801 |
Coulombic: | -29.3121 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 325.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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