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Chemical ID: 4571096
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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