Chemical ID: 4571601

CC(C)C(CCNC(=O)c1ccc(cc1)OC)c2ccc(cc2)OC
Chemical ID:
4571601
Name [?]:
4-methoxy-N-[3-(4-methoxyphenyl)-4-methyl-pentyl]-benzamide
SMILES [?]:
CC(C)C(CCNC(=O)c1ccc(cc1)OC)c2ccc(cc2)OC
InChi [?]:
InChI=1/C21H27NO3/c1-15(2)20(16-5-9-18(24-3)10-6-16)13-14-22-21(23)17-7-11-19(25-4)12-8-17/h5-12,15,20H,13-14H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,25,17,19,23,11,15,20,22,12,14,5,6,2,18,10,21,13,4,8,7,9,24,16/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:25cCCCCCCNCOCCCCCCOCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s4;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.2503
Area:592.492
Solvation:-4.56202
Coulombic:-38.6699
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.444
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.06
LogP (Chemaxon):3.92

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Descriptor Annotations

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