Chemical ID: 4481797

CCC(C)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)CN3CCOCC3
Chemical ID:
4481797
Name [?]:
N-[4-(morpholinomethyl)phenyl]-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)CN3CCOCC3
InChi [?]:
InChI=1/C23H30N2O3/c1-3-18(2)20-6-10-22(11-7-20)28-17-23(26)24-21-8-4-19(5-9-21)16-25-12-14-27-15-13-25/h4-11,18H,3,12-17H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,4,2,18,20,6,10,17,21,7,9,24,28,25,27,22,12,3,19,5,16,8,13,15,23,14,26,11/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28cCCCCCCCCCCOCCONCCCCCCCNCCOCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.2026
Area:642.712
Solvation:-5.86521
Coulombic:-42.4052
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.496
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.0
LogP (Chemaxon):4.01

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Descriptor Annotations

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