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Chemical ID: 6654477
Chemical ID:
6654477
Name [?]:
4-(2,4-dipentylphenoxy)butanamide
SMILES [?]:
CCCCCc1ccc(c(c1)CCCCC)OCCCC(=O)N
InChi [?]:
InChI=1/C20H33NO2/c1-3-5-7-10-17-13-14-19(23-15-9-12-20(21)22)18(16-17)11-8-6-4-2/h13-14,16H,3-12,15H2,1-2H3,(H2,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,3,14,4,13,19,5,12,20,7,8,18,11,6,10,9,21,23,22,17/rA:23nCCCCCCCCCCCCCCCCOCCCCON/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;s15;s9;s17;s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H33NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1104 |
Area: | 618.497 |
Solvation: | -3.35203 |
Coulombic: | -34.5248 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 319.482 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.11 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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