Chemical ID: 7373475

CC(C)(C)c1ccc(c(c1)NC(=O)CCc2ccc(cc2)OC)OC
Chemical ID:
7373475
Name [?]:
3-(4-methoxyphenyl)-N-(2-methoxy-5-tert-butyl-phenyl)-propanamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)NC(=O)CCc2ccc(cc2)OC)OC
InChi [?]:
InChI=1/C21H27NO3/c1-21(2,3)16-9-12-19(25-5)18(14-16)22-20(23)13-8-15-6-10-17(24-4)11-7-15/h6-7,9-12,14H,8,13H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,25,17,21,15,6,18,20,7,14,10,16,5,19,9,8,12,2,11,13,22,24/E:(1,2,3)(6,7)(10,11)/rA:25nCCCCCCCCCCNCOCCCCCCCCOCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s8;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27NO3
All Atoms:52
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0978
Area:581.133
Solvation:-4.4305
Coulombic:-36.743
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.444
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.62
LogP (Chemaxon):4.74

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Descriptor Annotations

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