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Chemical ID: 5079745
Chemical ID:
5079745
Name [?]:
N-[4-(4-phenylbutyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)CCCCc2ccccc2
InChi [?]:
InChI=1/C18H21NO/c1-15(20)19-18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,13,12,16,20,14,11,7,9,6,10,2,15,8,5,4,3/E:(3,4)(7,8)(11,12)(13,14)/rA:20nCCONCCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3806 |
Area: | 508.331 |
Solvation: | -2.32769 |
Coulombic: | -22.3203 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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