Chemical ID: 6989145

CC(C)c1ccc(cc1)OCC(=O)NN=Cc2ccccc2OCc3ccccc3
Chemical ID:
6989145
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)NN=Cc2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C25H26N2O3/c1-19(2)21-12-14-23(15-13-21)29-18-25(28)27-26-16-22-10-6-7-11-24(22)30-17-20-8-4-3-5-9-20/h3-16,19H,17-18H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,28,27,29,19,20,26,30,18,21,5,9,6,8,16,24,11,2,25,4,17,7,22,12,15,14,13,10,23/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:30nCCCCCCCCCOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26N2O3
All Atoms:56
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.14368
Area:657.001
Solvation:-8.28135
Coulombic:-33.929
Bond Count [?]
All:32
Single:21
Double:11
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:402.486
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.71
LogP (Chemaxon):5.73

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Descriptor Annotations

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