Chemical ID: 4269475

CCOc1ccccc1C=NNC(=O)COc2cc(ccc2C)C(C)C
Chemical ID:
4269475
Name [?]:
N-[(2-ethoxyphenyl)methyleneamino]-2-(5-isopropyl-2-methyl-phenoxy)-acetamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)COc2cc(ccc2C)C(C)C
InChi [?]:
InChI=1/C21H26N2O3/c1-5-25-19-9-7-6-8-18(19)13-22-23-21(24)14-26-20-12-17(15(2)3)11-10-16(20)4/h6-13,15H,5,14H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,26,23,2,7,6,8,5,21,20,18,10,15,24,22,19,9,4,17,13,11,12,14,3,16/E:(2,3)/rA:26nCCOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s19;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.22317
Area:612.783
Solvation:-6.0964
Coulombic:-34.7234
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:354.443
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.64
LogP (Chemaxon):4.77

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