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Chemical ID: 7701179
Chemical ID:
7701179
Name [?]:
None
SMILES [?]:
CCC(C)NCc1ccc(c(c1)OCC)OCC(=O)NC2CCCCC2
InChi [?]:
InChI=1/C21H34N2O3/c1-4-16(3)22-14-17-11-12-19(20(13-17)25-5-2)26-15-21(24)23-18-9-7-6-8-10-18/h11-13,16,18,22H,4-10,14-15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,15,4,2,14,24,23,25,22,26,8,9,12,6,17,3,7,21,10,11,18,5,20,19,13,16/E:(7,8)(9,10)/rA:26cCCCCNCCCCCCCOCCOCCONCCCCCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;s10;s16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H34N2O3 |
All Atoms: | 60 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.68905 |
Area: | 639.942 |
Solvation: | -6.3095 |
Coulombic: | -44.8106 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.76 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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