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Chemical ID: 6530415
Chemical ID:
6530415
Name [?]:
N-(2-phenoxyethyl)nonanamide
SMILES [?]:
CCCCCCCCC(=O)NCCOc1ccccc1
InChi [?]:
InChI=1/C17H27NO2/c1-2-3-4-5-6-10-13-17(19)18-14-15-20-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,18,17,19,7,16,20,8,12,13,15,9,11,10,14/E:(8,9)(11,12)/rA:20nCCCCCCCCCONCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8199 |
Area: | 555.151 |
Solvation: | -3.05885 |
Coulombic: | -30.5574 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 277.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.1 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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