Chemical ID: 5517138

CCCCOc1ccc(cc1)C(=O)NCCO
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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Descriptor Annotations

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