Chemical ID: 4571096

CC(C)C(CC(=O)NCCC(c1ccc(cc1)OC(C)C)c2ccccc2OC)c3ccc(cc3)OC
Chemical ID:
4571096
Name [?]:
N-[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)-propyl]-3-(4-methoxyphenyl)-4-methyl-pentanamide
SMILES [?]:
CC(C)C(CC(=O)NCCC(c1ccc(cc1)OC(C)C)c2ccccc2OC)c3ccc(cc3)OC
InChi [?]:
InChI=1/C32H41NO4/c1-22(2)30(25-11-15-26(35-5)16-12-25)21-32(34)33-20-19-28(29-9-7-8-10-31(29)36-6)24-13-17-27(18-14-24)37-23(3)4/h7-18,22-23,28,30H,19-21H2,1-6H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,37,29,24,25,23,26,31,35,13,17,32,34,14,16,10,9,5,2,19,12,30,33,15,11,22,4,27,6,8,7,36,28,18/E:(1,2)(3,4)(11,12)(13,14)(15,16)(17,18)/rA:37cCCCCCCONCCCCCCCCCOCCCCCCCCCOCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;s11;s22;d23;s24;d25;d22s26;s27;s28;s4;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H41NO4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:2
ZAP Information [?]
Total:13.9687
Area:807.747
Solvation:-6.22493
Coulombic:-46.2093
Bond Count [?]
All:39
Single:29
Double:10
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:503.672
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.33
LogP (Chemaxon):6.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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