Chemical ID: 5781431

CCc1ccc(cc1)C=NNC(=O)COc2cc(ccc2C(C)(C)C)C
Chemical ID:
5781431
Name [?]:
N-[(4-ethylphenyl)methyleneamino]-2-(5-methyl-2-tert-butyl-phenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)C=NNC(=O)COc2cc(ccc2C(C)(C)C)C
InChi [?]:
InChI=1/C22H28N2O2/c1-6-17-8-10-18(11-9-17)14-23-24-21(25)15-26-20-13-16(2)7-12-19(20)22(3,4)5/h7-14H,6,15H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,23,24,25,2,19,4,8,5,7,20,17,9,14,18,3,6,21,16,12,22,10,11,13,15/E:(3,4,5)(8,9)(10,11)/rA:26nCCCCCCCCCNNCOCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s22;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.104
Area:602.007
Solvation:-4.94621
Coulombic:-28.0051
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:352.47
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.62
LogP (Chemaxon):5.97

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