Chemical ID: 7208082

CCCC(C)c1ccc(cc1)OCC(=O)NN=Cc2ccccc2OCc3ccccc3
Chemical ID:
7208082
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-2-[4-(1-methylbutyl)phenoxy]-acetamide
SMILES [?]:
CCCC(C)c1ccc(cc1)OCC(=O)NN=Cc2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C27H30N2O3/c1-3-9-21(2)23-14-16-25(17-15-23)31-20-27(30)29-28-18-24-12-7-8-13-26(24)32-19-22-10-5-4-6-11-22/h4-8,10-18,21H,3,9,19-20H2,1-2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,5,2,30,29,31,21,22,3,28,32,20,23,7,11,8,10,18,26,13,4,27,6,19,9,24,14,17,16,15,12,25/E:(5,6)(10,11)(14,15)(16,17)/rA:32cCCCCCCCCCCCOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O3
All Atoms:62
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.5569
Area:730.487
Solvation:-6.70531
Coulombic:-36.9753
Bond Count [?]
All:34
Single:23
Double:11
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:430.539
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.84
LogP (Chemaxon):6.53

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Descriptor Annotations

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