Chemical ID: 7259547

CCCOc1ccccc1OCC(=O)Nc2c(cccc2CC)C
Chemical ID:
7259547
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-2-(2-propoxyphenoxy)-acetamide
SMILES [?]:
CCCOc1ccccc1OCC(=O)Nc2c(cccc2CC)C
InChi [?]:
InChI=1/C20H25NO3/c1-4-13-23-17-11-6-7-12-18(17)24-14-19(22)21-20-15(3)9-8-10-16(20)5-2/h6-12H,4-5,13-14H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,22,7,8,19,18,20,6,9,3,12,17,21,5,10,13,16,15,14,4,11/rA:24nCCCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO3
All Atoms:49
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.99946
Area:568.344
Solvation:-6.20914
Coulombic:-36.0255
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:327.417
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.02
LogP (Chemaxon):3.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue