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Chemical ID: 5517138
Chemical ID:
5517138
Name [?]:
4-butoxy-N-(2-hydroxyethyl)benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)NCCO
InChi [?]:
InChI=1/C13H19NO3/c1-2-3-10-17-12-6-4-11(5-7-12)13(16)14-8-9-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,10,7,11,15,16,4,9,6,12,14,17,13,5/E:(4,5)(6,7)/rA:17nCCCCOCCCCCCCONCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55588 |
Area: | 462.053 |
Solvation: | -3.99545 |
Coulombic: | -46.5551 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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