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Chemical ID: 6505960
Chemical ID:
6505960
Name [?]:
N-(2-aminoethyl)-4-hexoxy-2-hydroxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(c(c1)O)C(=O)NCCN
InChi [?]:
InChI=1/C15H24N2O3/c1-2-3-4-5-10-20-12-6-7-13(14(18)11-12)15(19)17-9-8-16/h6-7,11,18H,2-5,8-10,16H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,9,10,19,18,6,13,8,11,12,15,20,17,14,16,7/rA:20nCCCCCCOCCCCCCOCONCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;d15;s15;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80144 |
Area: | 529.823 |
Solvation: | -4.44414 |
Coulombic: | -57.1711 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 280.363 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 3.08 |
LogP (Chemaxon): | 0.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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