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Chemical ID: 5169598
Chemical ID:
5169598
Name [?]:
N-[(3-methoxyphenyl)methyl]nonanamide
SMILES [?]:
CCCCCCCCC(=O)NCc1cccc(c1)OC
InChi [?]:
InChI=1/C17H27NO2/c1-3-4-5-6-7-8-12-17(19)18-14-15-10-9-11-16(13-15)20-2/h9-11,13H,3-8,12,14H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,4,5,6,7,15,14,16,8,18,12,13,17,9,11,10,19/rA:20nCCCCCCCCCONCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6057 |
Area: | 547.967 |
Solvation: | -3.09352 |
Coulombic: | -30.0953 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 277.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.0 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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