Chemical ID: 4153808

CCc1cccc(c1NC(=O)CCCOc2ccc(cc2)C(C)(C)C)C
Chemical ID:
4153808
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-4-(4-tert-butylphenoxy)-butanamide
SMILES [?]:
CCc1cccc(c1NC(=O)CCCOc2ccc(cc2)C(C)(C)C)C
InChi [?]:
InChI=1/C23H31NO2/c1-6-18-10-7-9-17(2)22(18)24-21(25)11-8-16-26-20-14-12-19(13-15-20)23(3,4)5/h7,9-10,12-15H,6,8,11,16H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,23,24,25,2,5,13,6,4,12,18,20,17,21,14,7,3,19,16,10,8,22,9,11,15/E:(3,4,5)(12,13)(14,15)/rA:26nCCCCCCCCNCOCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31NO2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4947
Area:608.511
Solvation:-3.71808
Coulombic:-29.2731
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:353.498
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.92
LogP (Chemaxon):4.97

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Descriptor Annotations

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