Chemical ID: 7344992

CC(C)CCC(CC(=O)Nc1ccc(cc1)OC(C)C)c2ccc(cc2)OC(C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue