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Chemical ID: 6541663
Chemical ID:
6541663
Name [?]:
N,N-bis(2-methoxyethyl)-2-[4-(4-methylphenoxy)phenoxy]-acetamide
SMILES [?]:
Cc1ccc(cc1)Oc2ccc(cc2)OCC(=O)N(CCOC)CCOC
InChi [?]:
InChI=1/C21H27NO5/c1-17-4-6-19(7-5-17)27-20-10-8-18(9-11-20)26-16-21(23)22(12-14-24-2)13-15-25-3/h4-11H,12-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,27,3,7,4,6,11,13,10,14,20,24,21,25,16,2,12,5,9,17,19,18,22,26,15,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(24,25)/rA:27nCCCCCCCOCCCCCCOCCONCCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;s21;s22;s19;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.87995 |
Area: | 625.211 |
Solvation: | -7.75033 |
Coulombic: | -46.7467 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 373.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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