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Chemical ID: 6147854
Chemical ID:
6147854
Name [?]:
N-(1-naphthyl)-4-(4-propylphenoxy)-butanamide
SMILES [?]:
CCCc1ccc(cc1)OCCCC(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C23H25NO2/c1-2-7-18-13-15-20(16-14-18)26-17-6-12-23(25)24-22-11-5-9-19-8-3-4-10-21(19)22/h3-5,8-11,13-16H,2,6-7,12,17H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,19,12,3,26,20,23,18,13,5,9,6,8,11,4,21,7,22,17,14,16,15,10/E:(13,14)(15,16)/rA:26nCCCCCCCCCOCCCCONCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2912 |
Area: | 605.536 |
Solvation: | -3.84719 |
Coulombic: | -30.1499 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.93 |
LogP (Chemaxon): | 5.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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