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Chemical ID: 4481797
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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