Chemical ID: 7100657

CCOc1cc(ccc1OCC(=O)NC(C)(C)C)CNC2CCCCC2
Chemical ID:
7100657
Name [?]:
2-[4-(cyclohexylaminomethyl)-2-ethoxy-phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CCOc1cc(ccc1OCC(=O)NC(C)(C)C)CNC2CCCCC2
InChi [?]:
InChI=1/C21H34N2O3/c1-5-25-19-13-16(14-22-17-9-7-6-8-10-17)11-12-18(19)26-15-20(24)23-21(2,3)4/h11-13,17,22H,5-10,14-15H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,2,24,23,25,22,26,7,8,5,19,11,6,21,9,4,12,15,20,14,13,3,10/E:(2,3,4)(7,8)(9,10)/rA:26nCCOCCCCCCOCCONCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s15;s15;s6;s19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H34N2O3
All Atoms:60
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.56656
Area:628.141
Solvation:-6.13695
Coulombic:-44.5043
Bond Count [?]
All:27
Single:23
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:362.506
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.82
LogP (Chemaxon):2.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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