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Chemical ID: 6850576
Chemical ID:
6850576
Name [?]:
N-phenyl-4-(4-propylphenoxy)-butanamide
SMILES [?]:
CCCc1ccc(cc1)OCCCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C19H23NO2/c1-2-7-16-11-13-18(14-12-16)22-15-6-10-19(21)20-17-8-4-3-5-9-17/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,12,3,18,22,13,5,9,6,8,11,4,17,7,14,16,15,10/E:(4,5)(8,9)(11,12)(13,14)/rA:22nCCCCCCCCCOCCCCONCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0177 |
Area: | 547.848 |
Solvation: | -3.67849 |
Coulombic: | -29.1747 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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