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Chemical ID: 7291382
Chemical ID:
7291382
Name [?]:
N-(4-isopropylphenyl)-3-(3,4,5-trimethoxyphenyl)-propanamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)CCc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C21H27NO4/c1-14(2)16-7-9-17(10-8-16)22-20(23)11-6-15-12-18(24-3)21(26-5)19(13-15)25-4/h7-10,12-14H,6,11H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,22,26,24,14,5,9,6,8,13,20,16,2,15,4,7,19,17,11,18,10,12,21,25,23/E:(1,2)(3,4)(7,8)(9,10)(12,13)(18,19)(24,25)/rA:26nCCCCCCCCCNCOCCCCCCCCOCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s17;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO4 |
All Atoms: | 53 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37559 |
Area: | 607.624 |
Solvation: | -6.81501 |
Coulombic: | -42.4045 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 357.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.72 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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