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Chemical ID: 7344992
Chemical ID:
7344992
Name [?]:
N,3-bis(4-isopropoxyphenyl)-6-methyl-heptanamide
SMILES [?]:
CC(C)CCC(CC(=O)Nc1ccc(cc1)OC(C)C)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C26H37NO3/c1-18(2)7-8-22(21-9-13-24(14-10-21)29-19(3)4)17-26(28)27-23-11-15-25(16-12-23)30-20(5)6/h9-16,18-20,22H,7-8,17H2,1-6H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,29,30,19,20,4,5,22,26,12,16,23,25,13,15,7,2,28,18,21,6,11,24,14,8,10,9,27,17/E:(1,2)(3,4)(5,6)(9,10)(11,12)(13,14)(15,16)/rA:30cCCCCCCCCONCCCCCCOCCCCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s18;s6;s21;d22;s23;d24;d21s25;s24;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H37NO3 |
All Atoms: | 67 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3667 |
Area: | 702.594 |
Solvation: | -4.19819 |
Coulombic: | -37.6297 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 411.577 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.29 |
LogP (Chemaxon): | 6.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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