Chemical ID: 7100651

CC(C)(C)NC(=O)COc1ccc(cc1)CNCCO
Chemical ID:
7100651
Name [?]:
2-[4-(2-hydroxyethylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)COc1ccc(cc1)CNCCO
InChi [?]:
InChI=1/C15H24N2O3/c1-15(2,3)17-14(19)11-20-13-6-4-12(5-7-13)10-16-8-9-18/h4-7,16,18H,8-11H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,14,11,15,18,19,16,8,13,10,6,2,17,5,20,7,9/E:(1,2,3)(4,5)(6,7)/rA:20nCCCCNCOCOCCCCCCCNCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O3
All Atoms:44
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.00554
Area:516.146
Solvation:-5.89812
Coulombic:-52.8078
Bond Count [?]
All:20
Single:16
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:280.363
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.21
LogP (Chemaxon):0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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